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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.55 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.46 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.43 |
| ▸ | ICMT | O60725 | 4/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.44 |
| ▸ | RPA1 | P27694 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3396522 | 0.98 | PIK3CA (0.56) | PIK3CAICMTIDO1CA2EPHB4 | |
| SCHEMBL3992493 | 0.85 | ICMT (0.58) | PIK3CAICMTCA2EPHB4RPA1 | |
| SCHEMBL2791406 | 0.84 | PIK3CA (0.54) | PIK3CAICMTIDO1CA2RPA1 | |
| SCHEMBL3397980 | 0.84 | CA2 (0.47) | PIK3CAICMTCA2 | |
| Hydrochloric Acid SCHEMBL1221757 | 0.83 | PIK3CA (0.52) | PIK3CAICMTIDO1CA2RPA1 | |
| SCHEMBL869116 | 0.81 | CA2 (0.65) | PIK3CACA2RPA1HDAC3HDAC1 | |
| SCHEMBL21090110 | 0.81 | PIK3CA (0.58) | PIK3CAICMTIDO1CA2RPA1 | |
| SCHEMBL1115081 | 0.81 | CA2 (0.52) | CA2 | |
| SCHEMBL29718749 | 0.81 | CA2 (0.52) | CA2 | |
| SCHEMBL1029174 | 0.81 | SLC6A4 (0.54) | PIK3CAIDO1CA2TSHR |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070135414-A1 | Tachykinin Antagonists | ALVARO GUISEPPE | 2007-06-14 | — | — | US | disclosed |
| US-7214680-B2 | 2-substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors | GLAXO GROUP LIMITED (GB) | 2007-05-08 | — | — | US | disclosed |
| US-7196077-B2 | Tachykinin antagonists | GLAXO GROUP LIMITED (GB) | 2007-03-27 | — | — | US | disclosed |
| EP-1423117-B1 | 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS | GLAXO GROUP LTD (GB) | 2005-10-19 | — | — | EP | disclosed |
| EP-1377560-B1 | PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS | GLAXO GROUP LTD (GB) | 2005-09-21 | — | — | EP | disclosed |
| EP-1377558-B1 | [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | GLAXO GROUP LTD (GB) | 2005-08-17 | — | — | EP | disclosed |
| US-20040242592-A1 | 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors | GLAXO GROUP LIMITED (GB) | 2004-12-02 | — | — | US | disclosed |
| US-20040157858-A1 | Piperazine derivatives as tachykinin antagonists | GLAXO GROUP LIMITED (GB) | 2004-08-12 | — | — | US | disclosed |
| US-20040127485-A1 | 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists | GLAXO GROUP LIMITED (GB) | 2004-07-01 | — | — | US | disclosed |
| EP-1377558-A1 | [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002081457-A1 | `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2002-10-17 | — | — | WO | 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-20040157858-A1 | Piperazine derivatives as tachykinin antagonists | NPSR1, SSTR2, PROKR1 | PIK3CA 3570/4885CA2 803/4885HDAC3 788/4885 |
| US-20040127485-A1 | 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists | NPY1R, CRHR1, GRIN1 | PIK3CA 4265/4885CA2 305/4885HDAC3 556/4885 |
| US-20070135414-A1 | Tachykinin Antagonists | NPSR1, TACR2, NPY4R | PIK3CA 4516/4885CA2 650/4885HDAC3 566/4885 |
| US-20040242592-A1 | 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors | SLC6A4, TPH1, HTR1D | PIK3CA 4108/4885CA2 1158/4885HDAC3 1328/4885 |
“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.