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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.55 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.50 |
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.48 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.48 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.48 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.48 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.48 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.48 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.48 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.96 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.96 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.96 |
| ▸ | TSHR | P16473 | 6/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL85646 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| Nitrogen SCHEMBL28729804 | 0.94 | ALDH1A1 (0.92) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| Methyl Alcohol SCHEMBL28103605 | 0.94 | ALDH1A1 (0.92) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| Sulfuric Acid SCHEMBL10656288 | 0.89 | ALDH1A1 (0.82) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| Hydrochloric Acid SCHEMBL27699078 | 0.86 | CYP3A4 (0.96) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| SCHEMBL2313 | 0.83 | CYP3A4 (1.00) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| SCHEMBL4437873 | 0.83 | CYP3A4 (1.00) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| 4-Chloro-2-Nitroaniline SCHEMBL11206094 | 0.82 | TDP1 (0.70) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| Water SCHEMBL7777064 | 0.82 | CYP3A4 (0.96) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| Methylamine SCHEMBL11819150 | 0.81 | ALDH1A1 (0.91) | ALDH1A1TDP1CYP3A4TSHRHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5604228-A | ADMINISTERING AS ANTIPSYCHOTIC OR ANTIHALLUCINOGENIC AGENTS | STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) | 1997-02-18 | — | — | US | disclosed |
| US-5574070-A | Substituted guanidines having high binding to the sigma receptor and the use thereof | STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) | 1996-11-12 | — | — | US | disclosed |
| US-5502255-A | HYPOTENSIVE AGENTS, PSYCHOLOGICAL DISORDERS AND AS ANTIDEPRESSANTS | STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) | 1996-03-26 | — | — | US | disclosed |
| US-5478863-A | Hypotensive agents, drugs for treating psychological disorders | STATE OF OREGON, OREGON HEALTH SCIENCES UNIVERSITY OF OREGON (US) | 1995-12-26 | — | — | US | disclosed |
| US-5385946-A | Method for treating hypertension with disubstituted granidine compounds | STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) | 1995-01-31 | — | — | US | disclosed |
| US-5312840-A | Substituted guanidines having high binding to the sigma receptor and the use thereof | STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION (US) | 1994-05-17 | — | — | US | disclosed |
| EP-0532642-A4 | — | — | 1994-04-27 | — | — | EP | disclosed |
| EP-0314690-B1 | SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE | OREGON STATE (US) | 1993-12-29 | — | — | EP | disclosed |
| EP-0532642-A1 | SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF | STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) | 1993-03-24 | — | — | EP | disclosed |
| WO-1991018868-A1 | SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF | STATE OF OREGON, acting by and through the OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of the OREGON HEALTH SCIENCES UNIVERSITY (US) | 1991-12-12 | — | — | WO | disclosed |
| EP-0314690-A4 | SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE. | OREGON STATE (US) | 1989-11-07 | — | — | EP | disclosed |
| EP-0314690-A1 | SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE. | OREGON STATE (US) | 1989-05-10 | — | — | EP | disclosed |
| WO-1988000583-A1 | SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE | STATE OF OREGON ACTING BY AND THROUGH THE STATE BO (US) | 1988-01-28 | — | — | WO | disclosed |