Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.36 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.36 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.36 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.34 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.33 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.38 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.38 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.36 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27679302 | 0.98 | FAAH (0.46) | FAAHTPSAB1TPSD1TPSG1CA2 | |
| SCHEMBL5239789 | 0.86 | FAAH (0.51) | FAAHTSHRALDH1A1KDM4EPOLB | |
| SCHEMBL27659208 | 0.81 | FAAH (0.48) | FAAHTSHRALDH1A1KDM4EPOLB | |
| SCHEMBL5239781 | 0.79 | FAAH (0.47) | FAAHTSHRALDH1A1KDM4EPOLB | |
| N-(Ethoxycarbonyl)Piperazine SCHEMBL11491904 | 0.78 | TSHR (0.55) | CA2CA12CA1CA9TSHR | |
| SCHEMBL13793796 | 0.78 | TSHR (0.61) | FAAHTSHRALDH1A1POLBHTT | |
| SCHEMBL21635185 | 0.77 | CA2 (0.39) | TPSAB1TPSD1TPSG1CA2CA12 | |
| SCHEMBL22115337 | 0.77 | GNAI3 (0.43) | CA2CA12CA1CA9CHRM5 | |
| N-(Ethoxycarbonyl)Piperazine SCHEMBL3889276 | 0.76 | TSHR (0.57) | CA2CA12CA1CA9TSHR | |
| SCHEMBL1679019 | 0.76 | TSHR (0.57) | CA2CA12CA1CA9TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8114866-B2 | Derivatives of 1-piperazine- and 1-homopiperazine-carboxylates, preparation method thereof and use of same as inhibitors of the FAAH enzyme | SANOFI-AVENTIS (FR) | 2012-02-14 | — | — | US | disclosed |
| CN-101538254-B | 1-piperazine-and 1-homopiperazine-carboxylate derivatives, preparation and therapeutic use thereof | SANOFI AVENTIS | 2011-07-27 | — | — | CN | disclosed |
| US-7973042-B2 | Derivatives of alkylpiperazine- and alkylhomopiperazine-carboxylates, preparation method thereof and use of same as fatty acid amido hydrolase enzyme inhibitors | SANOFI-AVENTIS (FR) | 2011-07-05 | — | — | US | disclosed |
| US-20100137329-A1 | DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME | SANOFI-EVENTIS (FR) | 2010-06-03 | — | — | US | disclosed |
| US-7687503-B2 | 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders | SANOFI-AVENTIS (FR) | 2010-03-30 | — | — | US | disclosed |
| CN-100567279-C | Alkylpiperazine-and alkylpiperazine-carboxylate derivatives, method for the production thereof and use thereof as FAAH enzyme inhibitors | SANOFI AVENTIS (FR) | 2009-12-09 | — | — | CN | disclosed |
| CN-101538254-A | 1-piperazine-and 1-homopiperazine-carboxylate derivatives, preparation and therapeutic use thereof | SANOFI AVENTIS | 2009-09-23 | — | — | CN | disclosed |
| CN-100497326-C | 1-piperazine-and 1-homopiperazine-carboxylate derivatives, preparation and therapeutic use thereof | SANOFI AVENTIS (FR) | 2009-06-10 | — | — | CN | disclosed |
| US-20090143365-A1 | DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS | SANOFI-AVENTIS (FR) | 2009-06-04 | — | — | US | disclosed |
| US-7482346-B2 | Derivatives of alkylpiperazine and alkylhomopiperazine-carboxylates, preparation method thereof and use of same as fatty acid amido hydrolase enzyme inhibitors | SANOFI-AVENTIS (FR) | 2009-01-27 | — | — | US | disclosed |
| CN-1922161-A | 1-piperazine-and 1-homopiperazine-carboxylate derivatives, preparation and therapeutic use thereof | SANOFI AVENTIS (FR) | 2007-02-28 | — | — | CN | disclosed |
| CN-1922162-A | Alkylpiperazine-and alkylpiperazine-carboxylate derivatives, method for the production thereof and use thereof as FAAH enzyme inhibitors | SANOFI AVENTIS (FR) | 2007-02-28 | — | — | CN | disclosed |
| US-20070027141-A1 | DERIVATIVES OF ALKYLPIPERAZINE AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS | SANOFI-AVENTIS (FR) | 2007-02-01 | — | — | US | disclosed |
| US-20060293310-A1 | 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders | SANOFI-AVENTIS (FR) | 2006-12-28 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100137329-A1 | DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME | FAAH, FAAH2, CNR1 | CA2 2602/4885CHRM5 1723/4885CHRM3 3837/4885 |
| US-20090143365-A1 | DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS | FAAH, FAAH2, CNR2 | CA2 2402/4885CHRM5 1087/4885CHRM3 1838/4885 |
| US-20060293310-A1 | 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders | FAAH, FAAH2, APEH | CA2 2563/4885CHRM5 1986/4885CHRM3 3677/4885 |
| US-20070027141-A1 | DERIVATIVES OF ALKYLPIPERAZINE AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS | FAAH, FAAH2, CNR2 | CA2 2185/4885CHRM5 1199/4885CHRM3 2064/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.