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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 3/20 | 0.44 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.33 |
| ▸ | DRD3 known ✓ | P35462 | 2/20 | 0.33 |
| ▸ | S1PR4 known ✓ | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 known ✓ | Q99500 | 1/20 | 0.31 |
| ▸ | S1PR5 known ✓ | Q9H228 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7920522 | 0.99 | ALOX15 (0.46) | ALOX15OPRM1OPRL1DRD2DRD3 | |
| SCHEMBL14595479 | 0.93 | OPRM1 (0.43) | ALOX15OPRM1OPRL1DRD2DRD3 | |
| SCHEMBL14595476 | 0.93 | OPRM1 (0.48) | ALOX15OPRM1OPRL1DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL8740646 | 0.91 | OPRM1 (0.40) | ALOX15OPRM1OPRL1TSHR | |
| Hydrochloric Acid SCHEMBL9355945 | 0.91 | ALOX15 (0.54) | ALOX15OPRM1OPRL1DRD2DRD3 | |
| SCHEMBL8740612 | 0.90 | OPRM1 (0.41) | ALOX15OPRM1OPRL1DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL9355990 | 0.88 | ALOX15 (0.47) | ALOX15OPRM1OPRL1DRD2DRD3 | |
| Atiprimod SCHEMBL5116678 | 0.87 | OPRM1 (0.41) | ALOX15OPRM1OPRL1DRD2DRD3 | |
| SCHEMBL14595478 | 0.87 | OPRM1 (0.46) | ALOX15OPRM1OPRL1DRD2DRD3 | |
| SCHEMBL8677685 | 0.87 | ALOX15 (0.48) | ALOX15OPRM1OPRL1DRD2DRD3 |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0572537-B1 | CYTOKINE INHIBITORS | ANORMED INC (CA) | 1999-11-17 | — | — | EP | claimed |
| US-5900430-A | USING AN AZASPIRANE COMPOUND | ANORMED, INC. (CA) | 1999-05-04 | — | — | US | claimed |
| US-5602166-A | Cytokine inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1997-02-11 | — | — | US | claimed |
| EP-0572537-A1 | CYTOKINE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-12-08 | — | — | EP | claimed |
| EP-0572537-A4 | CYTOKINE INHIBITORS. | SMITHKLINE BEECHAM CORP (US) | 1993-10-14 | — | — | EP | claimed |
| EP-0550595-A4 | METHODS | — | 1993-09-08 | — | — | EP | claimed |
| EP-0550595-A1 | METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-07-14 | — | — | EP | claimed |
| WO-1992014462-A1 | CYTOKINE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1992-09-03 | — | — | WO | claimed |
| WO-1992004899-A1 | METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1992-04-02 | — | — | WO | claimed |
| EP-0587800-B1 | IMMUNOMODULATORY AZASPIRANES | ANORMED INC (CA) | 2003-04-02 | — | — | EP | disclosed |
| EP-0804201-A4 | METHOD OF TREATING OPPORTUNISTIC INFECTIONS WITH AZASPIRANES | SMITHKLINE BEECHAM CORP (US) | 2000-04-26 | — | — | EP | disclosed |
| EP-0717622-A4 | METHODS OF TREATING HIV WITH AZASPIRANES | SMITHKLINE BEECHAM CORP (US) | 1998-09-09 | — | — | EP | disclosed |
| EP-0711160-A4 | METHOD OF INHIBITING THE REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUSES WITH SUBSTITUTED AZASPIRANES | SMITHKLINE BEECHAM CORP (US) | 1998-09-09 | — | — | EP | disclosed |
| EP-0713391-A4 | METHOD OF INHIBITING THE PRODUCTION OF HUMAN IMMUNODEFICIENCY VIRUSES WITH SUBSTITUTED AZASPIRANES | SMITHKLINE BEECHAM CORP (US) | 1998-09-09 | — | — | EP | disclosed |
| EP-0609358-A4 | METHODS FOR TREATMENT OF HYPERLIPIDEMIA USING AZASPIRANES. | SMITHKLINE BEECHAM CORP (US) | 1994-10-12 | — | — | EP | disclosed |
| EP-0609358-A1 | METHODS FOR TREATMENT OF HYPERLIPIDEMIA USING AZASPIRANES | SMITHKLINE BEECHAM CORPORATION (US) | 1994-08-10 | — | — | EP | disclosed |
| EP-0587800-A4 | IMMUNOMODULATORY AZASPIRANES | SMITHKLINE BEECHAM CORP (US) | 1994-06-29 | — | — | EP | disclosed |
| EP-0587800-A1 | IMMUNOMODULATORY AZASPIRANES | SMITHKLINE BEECHAM CORPORATION (US) | 1994-03-23 | — | — | EP | disclosed |
| WO-1993014760-A2 | METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-08-05 | — | — | WO | disclosed |
| WO-1993007869-A1 | METHODS FOR TREATMENT OF HYPERLIPIDEMIA USING AZASPIRANES | SMITHKLINE BEECHAM CORPORATION (US) | 1993-04-29 | — | — | WO | disclosed |