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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.58 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.58 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.58 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.58 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.58 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.58 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.58 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.58 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.58 |
| ▸ | CYP19A1 known ✓ | P11511 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL409343 | 0.99 | ALDH1A1 (0.59) | ALDH1A1LMNATP53CYP1A2CYP3A4 | |
| SCHEMBL8804766 | 0.90 | CYP2A6 (0.55) | ALDH1A1LMNATP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL407952 | 0.86 | CYP19A1 (0.57) | CYP19A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL412035 | 0.86 | AGER (0.46) | — | |
| SCHEMBL11633191 | 0.86 | CYP2A6 (0.56) | ALDH1A1LMNATP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL410571 | 0.86 | HMOX1 (0.56) | CYP3A4CYP19A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL410696 | 0.86 | AGER (0.55) | CYP1A2CYP3A4CYP2D6CYP19A1CYP11B1 | |
| SCHEMBL10247118 | 0.86 | CYP11B1 (0.58) | ALDH1A1LMNATP53CYP1A2CYP3A4 | |
| SCHEMBL10927212 | 0.85 | CYP11B1 (0.53) | CYP19A1CYP11B1 | |
| SCHEMBL408358 | 0.84 | CYP19A1 (0.58) | CYP19A1CYP11B1CYP11B2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120020915-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | QUEENS UNIVERSITY AT KINGSTON (CA) | 2012-01-26 | — | — | US | claimed |
| US-20110319459-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | OSTA BIOTECHNOLOGIES (CA) | 2011-12-29 | — | — | US | claimed |
| EP-2173740-A1 | HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM | Osta Biotechnologies (CA) | 2010-04-14 | — | — | EP | claimed |
| US-20090176831-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | OSTA BIOTECHNOLOGIES (CA) | 2009-07-09 | — | — | US | claimed |
| WO-2008151437-A1 | HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM | OSTA BIOTECHNOLOGIES (CA) | 2008-12-18 | — | — | WO | claimed |
| US-20140155445-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2014-06-05 | — | — | US | disclosed |
| US-8513294-B2 | Substituted imidazole derivatives and methods of use thereof for treating cancer | OSTA BIOTECHNOLOGIES (CA) | 2013-08-20 | — | — | US | disclosed |
| US-20120020915-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | QUEENS UNIVERSITY AT KINGSTON (CA) | 2012-01-26 | — | — | US | disclosed |
| US-20110319459-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | OSTA BIOTECHNOLOGIES (CA) | 2011-12-29 | — | — | US | disclosed |
| US-7943650-B2 | Methods of treating cancer with imidazolyl compounds | OSTA BIOTECHNOLOGIES (CA) | 2011-05-17 | — | — | US | disclosed |
| EP-2173740-A1 | HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM | Osta Biotechnologies (CA) | 2010-04-14 | — | — | EP | disclosed |
| US-20090176831-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | OSTA BIOTECHNOLOGIES (CA) | 2009-07-09 | — | — | US | disclosed |
| WO-2008151437-A1 | HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM | OSTA BIOTECHNOLOGIES (CA) | 2008-12-18 | — | — | WO | disclosed |
| US-4518607-A | FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS | SYNTEX (U.S.A.) INC. (US) | 1985-05-21 | — | — | 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 (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-20110319459-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | TXNRD2, HMOX1, HMOX2 | ESR1 4766/4885NR3C1 721/4885ADRA2B 4001/4885 |
| US-20140155445-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | HMOX1, HMOX2, CYC1 | ESR1 4668/4885NR3C1 617/4885ADRA2B 3724/4885 |
| US-20120020915-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | HMOX1, HMOX2, CYC1 | ESR1 4668/4885NR3C1 617/4885ADRA2B 3724/4885 |
| US-20090176831-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | HMOX1, HMOX2, CYC1 | ESR1 4515/4885NR3C1 473/4885ADRA2B 3775/4885 |
“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.