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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.45 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.44 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.43 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.41 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23462846 | 0.98 | ALOX15 (0.52) | ALOX15CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL1294251 | 0.98 | ALOX15 (0.52) | ALOX15CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL1294248 | 0.98 | ALOX15 (0.52) | ALOX15CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6693453 | 0.88 | CYP1A2 (0.46) | ALOX15CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7383075 | 0.88 | PARP10 (0.46) | ALDH1A1KDM4EMAPTHTTGAA | |
| SCHEMBL5720944 | 0.87 | CYP1A2 (0.47) | ALOX15CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL26922770 | 0.86 | PARP10 (0.47) | ALDH1A1KDM4EMAPTHTTGAA | |
| SCHEMBL13120942 | 0.86 | AKR1C3 (0.53) | CYP1A2MAPTTHRBLMNAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL8323812 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL6692761 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1477486-A2 | Imides as inhibitors of TNF alpha | CELGENE CORPORATION (US) | 2004-11-17 | — | — | EP | disclosed |
| EP-0706521-B1 | IMIDES AS TNF ALPHA INHIBITORS | CELGENE CORP (US) | 2002-10-02 | — | — | EP | disclosed |
| US-6333338-B1 | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS | LABORATOIRE L. LAFON (FR) | 2001-12-25 | — | — | US | disclosed |
| US-6200987-B1 | ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES | CELGENE CORPORATION | 2001-03-13 | — | — | US | disclosed |
| US-6075041-A | TUMOR NECROSIS FACTOR | CELGENE CORPORATION (US) | 2000-06-13 | — | — | US | disclosed |
| EP-1004580-A2 | Imides as inhibitors of TNF alpha | CELGENE CORPORATION (US) | 2000-05-31 | — | — | EP | disclosed |
| EP-1004581-A2 | Process for the preparation of thalidomide | CELGENE CORPORATION (US) | 2000-05-31 | — | — | EP | disclosed |
| EP-1004572-A2 | Amines as inhibitors of TNF alpha | CELGENE CORPORATION (US) | 2000-05-31 | — | — | EP | disclosed |
| US-5877200-A | Cyclic amides | CELGENE CORPORATION (US) | 1999-03-02 | — | — | US | disclosed |
| US-5698579-A | INHIBITOR OF TUMOR NECROSIS FACTOR | CELGENE CORPORATION (US) | 1997-12-16 | — | — | US | disclosed |
| US-5605914-A | INHIBITORS OF TUMOR NECROSIS FACTOR | CELGENE CORPORATION (US) | 1997-02-25 | — | — | US | disclosed |
| EP-0706521-A1 | NOVEL IMIDES | CELGENE CORPORATION (US) | 1996-04-17 | — | — | EP | disclosed |
| WO-1995001348-A2 | IMIDES AS INHIBITORS OF TNP ALPHA | CELGENE CORPORATION (US) | 1995-01-12 | — | — | WO | disclosed |