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 | |
|---|---|---|---|---|
| ▸ | CYP19A1 known ✓ | P11511 | 1/20 | 0.66 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.62 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.62 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.62 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.62 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.62 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.62 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.62 |
| ▸ | TOP2A known ✓ | P11388 | 1/20 | 0.62 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.62 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.62 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.62 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.62 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.62 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.62 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.62 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.62 |
| ▸ | CACNA1D known ✓ | Q01668 | 1/20 | 0.62 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.62 |
| ▸ | CACNA1S known ✓ | Q13698 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL11517791 | 0.98 | CYP19A1 (0.68) | CYP19A1MEN1KMT2ARECQLMAPK1 | |
| SCHEMBL29350310 | 0.98 | CYP19A1 (0.68) | CYP19A1MEN1KMT2ARECQLMAPK1 | |
| SCHEMBL4885984 | 0.98 | CYP19A1 (0.68) | CYP19A1MEN1KMT2ARECQLMAPK1 | |
| Hydrochloric Acid SCHEMBL4891873 | 0.95 | CYP19A1 (0.64) | CYP19A1MEN1KMT2ARECQLMAPK1 | |
| SCHEMBL13194235 | 0.91 | CYP19A1 (0.59) | CYP19A1MEN1KMT2ARECQLMAPK1 | |
| SCHEMBL19745828 | 0.91 | CSNK2A2 (0.61) | CYP19A1MEN1KMT2ARECQLMAPK1 | |
| Hydrochloric Acid SCHEMBL11150067 | 0.90 | CYP19A1 (0.71) | CYP19A1MEN1KMT2ARECQLMAPK1 | |
| SCHEMBL10624602 | 0.89 | CYP19A1 (0.57) | CYP19A1MEN1KMT2ARECQLMAPK1 | |
| Hydrochloric Acid SCHEMBL4197847 | 0.89 | RECQL (0.49) | CYP19A1MEN1KMT2ARECQLMAPK1 | |
| SCHEMBL10523397 | 0.89 | MEN1 (0.75) | CYP19A1MEN1KMT2ARECQLMAPK1 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0710689-B1 | Polymeric antitumor agents | WYETH CORP (US) | 2003-05-02 | — | — | EP | disclosed |
| US-5609867-A | POLYAMIDES FROM DIAMINE MONOMERS CONTAINING ANTHRAQUINONE, ANTHRAPYRAZOLE, AZA-ANTHRAQUINONE, AND DIAZA-ANTHRAQUINONE RINGS | AMERICAN CYANAMID COMPANY (US) | 1997-03-11 | — | — | US | disclosed |
| EP-0710689-A2 | Polymeric antitumor agents | American Cyanamid Company (US) | 1996-05-08 | — | — | EP | disclosed |
| EP-0154117-B1 | Use of 1,4 bis(substituted) anthrachinones for the manufacture of immunosuppresiva | AMERICAN CYANAMID COMPANY (US) | 1989-12-27 | — | — | EP | disclosed |
| US-4888137-A | CHELATING AGENTS, ANTICARCINOGENIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1989-12-19 | — | — | US | disclosed |
| US-4820738-A | ANTITUMOR AGENTS; CHELATING AGENTS; GROWTH INHIBITORS; LEUKEMIA | AMERICAN CYANAMID COMPANY (US) | 1989-04-11 | — | — | US | disclosed |
| US-4614618-A | CHELATING AGENTS AND ANTICANCER AGENTS | AMERICAN CYANAMID COMPANY (US) | 1986-09-30 | — | — | US | disclosed |
| EP-0182135-A2 | Novel bis-(substituted amino) anthraquinones | AMERICAN CYANAMID COMPANY (US) | 1986-05-28 | — | — | EP | disclosed |
| EP-0154117-A1 | Use of 1,4 bis(substituted) anthrachinones for the manufacture of immunosuppresiva | AMERICAN CYANAMID COMPANY (US) | 1985-09-11 | — | — | EP | disclosed |
| US-4540519-A | CHELATE COMPOUNDS, ANTICANCER AGENTS | AMERICAN CYANAMID COMPANY (US) | 1985-09-10 | — | — | US | disclosed |
| EP-0131787-A2 | Novel Schiff bases of (aminoalkyl or substituted aminoalkyl)-amino-9,10-anthracenediones | AMERICAN CYANAMID COMPANY (US) | 1985-01-23 | — | — | EP | disclosed |
| US-4456552-A | CHELATION, ANTITUMOR | AMERICAN CYANAMID COMPANY (US) | 1984-06-26 | — | — | US | disclosed |
| EP-0042940-B1 | HETEROALKYLENE-BIS-ANTHRAQUINONES | AMERICAN CYANAMID COMPANY (US) | 1984-06-06 | — | — | EP | disclosed |
| US-4430501-A | CHELATION, ANTITUMOR, COMPLEXING, SEQUESTERING | AMERICAN CYANAMID COMPANY (US) | 1984-02-07 | — | — | US | disclosed |
| EP-0037486-B1 | METAL CHELATES OF 1,4-BIS(SUBSTITUTED-AMINO)-5,8-DIHYDROXY-ANTHRAQUINONES | AMERICAN CYANAMID COMPANY (US) | 1984-01-25 | — | — | EP | disclosed |
| EP-0042940-A1 | Heteroalkylene-bis-anthraquinones | AMERICAN CYANAMID COMPANY (US) | 1982-01-06 | — | — | EP | disclosed |
| US-4296030-A | ANTITUMOR AGENTS, DYES | AMERICAN CYANAMID COMPANY (US) | 1981-10-20 | — | — | US | disclosed |
| US-4278689-A | ANTITUMOR AGENTS | AMERICAN CYANAMID COMPANY (US) | 1981-07-14 | — | — | US | disclosed |
| US-4278605-A | ANTITUMOR AGENTS | AMERICAN CYANAMID COMPANY (US) | 1981-07-14 | — | — | US | disclosed |
| US-4197249-A | ANTITUMOR AGENTS | AMERICAN CYANAMID COMPANY (US) | 1980-04-08 | — | — | US | disclosed |