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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.44 |
| ▸ | ADH1C | P00326 | 1/20 | 0.44 |
| ▸ | ADH1A | P07327 | 1/20 | 0.44 |
| ▸ | ADH7 | P40394 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | PTPN7 | P35236 | 3/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 3/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3320729 | 0.98 | ADH1B (0.46) | ADH1BADH1CADH1AADH7RXRA | |
| SCHEMBL3310956 | 0.85 | PTPN7 (0.49) | ADH1BADH1CADH1AADH7PTPN7 | |
| SCHEMBL2582599 | 0.85 | KIF11 (0.47) | ADH1BADH1CADH1AADH7DAO | |
| SCHEMBL12497617 | 0.83 | IDO1 (0.51) | ADH1BADH1CADH1AADH7IDO1 | |
| SCHEMBL5536299 | 0.83 | ADH1B (0.42) | ADH1BADH1CADH1AADH7PTPN7 | |
| SCHEMBL6777347 | 0.80 | ALDH1A1 (0.44) | ADH1BADH1CADH1AADH7PTPN7 | |
| SCHEMBL5546561 | 0.80 | ALDH1A1 (0.41) | ADH1BADH1CADH1AADH7PTPN7 | |
| SCHEMBL6858263 | 0.77 | RXRA (0.47) | RXRARXRBRXRGDAOKIF11 | |
| SCHEMBL17503913 | 0.74 | KLKB1 (0.37) | ADH1BADH1CADH1AADH7KIF11 | |
| SCHEMBL11621008 | 0.74 | CYP3A4 (0.41) | RXRARXRBRXRGDAOKIF11 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7625904-B2 | Methods for the treatment of sleep disorders | SMITHKLINE BEECHAM CORPORATION (US) | 2009-12-01 | — | — | US | disclosed |
| EP-1460066-B1 | Piperazine compounds as Tachykinins inhibitors | GLAXO GROUP LTD (GB) | 2009-07-01 | — | — | EP | disclosed |
| US-20080249108-A1 | Chemical Compounds | GLAXO GROUP LIMITED (GB) | 2008-10-09 | — | — | US | disclosed |
| EP-1454901-B1 | Pharmaceutical compositions comprising tachykinins antagonists and a serotonin reuptake inhibitor. | GLAXO GROUP LTD (GB) | 2008-09-03 | — | — | EP | disclosed |
| US-7345041-B2 | treatment of sleep disorders or inflammatory diseases of the bladder by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(S)-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide methansulphonate | SMITHKLINE BEECHAM CORPORATION (US) | 2008-03-18 | — | — | US | disclosed |
| US-RE39921-E1 | Chemical compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2007-11-13 | — | — | US | disclosed |
| US-7071196-B2 | Chemical compounds | SMITHKLINE BEECHAM CROPORATION (US) | 2006-07-04 | — | — | US | disclosed |
| US-20060122192-A1 | Chemical compounds | GLAXO GROUP LIMITED (GB) | 2006-06-08 | — | — | US | disclosed |
| US-6951861-B1 | Chemical compounds | SMITHKLINE BEECHAN CORPORATION (US) | 2005-10-04 | — | — | US | disclosed |
| US-20040209893-A1 | treatment of a condition mediated by a tachykinin including substance P and other neurokinins by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic Acid (3,5-bistrifuoromethyl-benzyl)-methyl-amide Hydrochloride . | GLAXOSMITHKLINE LLC | 2004-10-21 | — | — | US | disclosed |
| EP-1460066-A1 | Piperazine compounds | GLAXO GROUP LIMITED (GB) | 2004-09-22 | — | — | EP | disclosed |
| EP-1454901-A1 | Piperazine compounds and pharmaceutical compositions containing them. | GLAXO GROUP LIMITED (GB) | 2004-09-08 | — | — | EP | disclosed |
| US-20040048862-A1 | Chemical compounds | GLAXO GROUP LIMITED (GB) | 2004-03-11 | — | — | US | disclosed |
| US-6642240-B2 | Piperazine derivatives; antagonists of tachykinins, including substance P; 2-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)methyl amide for example | SMITHKLINE BEECHAM CORPORATION | 2003-11-04 | — | — | US | disclosed |
| US-20030028021-A1 | Chemical compounds | GLAXO GROUP LIMITED (GB) | 2003-02-06 | — | — | 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 (5 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-20030028021-A1 | Chemical compounds | TACR1, TACR2, TAC3 | ADH1B 4567/4885ADH1C 2239/4885ADH1A 3201/4885 |
| US-20060122192-A1 | Chemical compounds | TACR1, TACR2, TAC3 | ADH1B 4567/4885ADH1C 2239/4885ADH1A 3201/4885 |
| US-20040048862-A1 | Chemical compounds | TACR1, TACR2, TAC3 | ADH1B 4567/4885ADH1C 2239/4885ADH1A 3201/4885 |
| US-20040209893-A1 | treatment of a condition mediated by a tachykinin including substance P and other neurokinins by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic Acid (3,5-bistrifuoromethyl-benzyl)-methyl-amide Hydrochloride . | TACR1, TACR2, NPSR1 | ADH1B 4686/4885ADH1C 2020/4885ADH1A 2793/4885 |
| US-20080249108-A1 | Chemical Compounds | CYP11B2, CYP11B1, CYP21A2 | ADH1B 256/4885ADH1C 474/4885ADH1A 420/4885 |
“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.