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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 5/20 | 0.57 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.57 |
| ▸ | PRKD3 known ✓ | O94806 | 1/20 | 0.57 |
| ▸ | TOP2A known ✓ | P11388 | 1/20 | 0.47 |
| ▸ | TOP2B known ✓ | Q02880 | 1/20 | 0.47 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.46 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | HPGD | P15428 | 5/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | CLK2 | P49760 | 1/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1859192 | 0.99 | KDM4E (0.57) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| SCHEMBL3963299 | 0.90 | KDM4E (0.70) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| SCHEMBL7810777 | 0.86 | KDM4E (0.64) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| Cadrofloxacin SCHEMBL7809917 | 0.83 | KDM4E (0.81) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| Cadrofloxacin SCHEMBL29711745 | 0.83 | KDM4E (0.81) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| Cadrofloxacin SCHEMBL1857761 | 0.83 | KDM4E (0.81) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| SCHEMBL13841373 | 0.83 | KDM4E (0.60) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| Cadrofloxacin SCHEMBL19235637 | 0.82 | KDM4E (0.82) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| Cadrofloxacin SCHEMBL7804218 | 0.82 | KDM4E (0.82) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| Cadrofloxacin SCHEMBL29383039 | 0.82 | KDM4E (0.82) | KDM4EALDH1A1HPGDKCNH2HSD17B10 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160045490-A1 | USE OF CHEMOTHERAPEUTIC AGENTS | BAYER INNOVATION GMBH (DE) | 2016-02-18 | — | — | US | claimed |
| US-20140287028-A1 | Use of Chemotherapeutic Agents | BAYER INNOVATION GMBH (DE) | 2014-09-25 | — | — | US | claimed |
| EP-1408034-B2 | Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents | BAYER INNOVATION GMBH (DE) | 2011-05-25 | — | — | EP | claimed |
| US-20070197501-A1 | Use Of Chemotherapeutic Agents | BAYER INNOVATION GMBH (DE) | 2007-08-23 | — | — | US | claimed |
| EP-1408034-B1 | Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents | SCHULZ & SCHLIMBACH GBR (DE) | 2007-08-08 | — | — | EP | claimed |
| US-20030045544-A1 | Bactericides for the oral region of animals using 3-carboxy-4-oxo quinoline or 1,8-naphthyridine derivatives or 1-cyclopropyl-3-carboyx-4-oxo quinolizine derivatives | BAYER INNOVATION GMBH (DE) | 2003-03-06 | — | — | US | claimed |
| US-20160045490-A1 | USE OF CHEMOTHERAPEUTIC AGENTS | BAYER INNOVATION GMBH (DE) | 2016-02-18 | — | — | US | disclosed |
| US-8975275-B2 | Use of chemotherapeutic agents | BAYER INNOVATION GMBH (DE) | 2015-03-10 | — | — | US | disclosed |
| US-20140287028-A1 | Use of Chemotherapeutic Agents | BAYER INNOVATION GMBH (DE) | 2014-09-25 | — | — | US | disclosed |
| US-20100330165-A1 | USE OF CHEMOTHERAPEUTIC AGENTS | BAYER INNOVATION GMBH (DE) | 2010-12-30 | — | — | US | disclosed |
| US-20070197501-A1 | Use Of Chemotherapeutic Agents | BAYER INNOVATION GMBH (DE) | 2007-08-23 | — | — | US | disclosed |
| US-20030045544-A1 | Bactericides for the oral region of animals using 3-carboxy-4-oxo quinoline or 1,8-naphthyridine derivatives or 1-cyclopropyl-3-carboyx-4-oxo quinolizine derivatives | BAYER INNOVATION GMBH (DE) | 2003-03-06 | — | — | 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 (5 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-20100330165-A1 | USE OF CHEMOTHERAPEUTIC AGENTS | TYMP, TP53, MSH2 | KCNH2 4694/4885OPRM1 4353/4885PRKD3 3168/4885 |
| US-20030045544-A1 | Bactericides for the oral region of animals using 3-carboxy-4-oxo quinoline or 1,8-naphthyridine derivatives or 1-cyclopropyl-3-carboyx-4-oxo quinolizine derivatives | NQO2, BROX, CYP4X1 | KCNH2 3039/4885OPRM1 1593/4885PRKD3 2887/4885 |
| US-20070197501-A1 | Use Of Chemotherapeutic Agents | TYMP, TP53, MSH2 | KCNH2 4694/4885OPRM1 4353/4885PRKD3 3168/4885 |
| US-20140287028-A1 | Use of Chemotherapeutic Agents | TYMP, TP53, MSH2 | KCNH2 4694/4885OPRM1 4353/4885PRKD3 3168/4885 |
| US-20160045490-A1 | USE OF CHEMOTHERAPEUTIC AGENTS | TYMP, TP53, MSH2 | KCNH2 4694/4885OPRM1 4353/4885PRKD3 3168/4885 |
“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.