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 | |
|---|---|---|---|---|
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.38 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.32 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL313570 | 0.83 | ALDH1A1 (0.43) | ALDH1A1KMT2AMEN1NPSR1CYP2D6 | |
| SCHEMBL4252730 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KMT2AMEN1NPSR1CYP2D6 | |
| Bromide SCHEMBL7626002 | 0.80 | ALDH1A1 (0.43) | ALDH1A1KMT2AMEN1NPSR1CYP2D6 | |
| SCHEMBL27488987 | 0.72 | ALDH1A1 (0.46) | ALDH1A1KMT2AMEN1NPSR1CYP2D6 | |
| Hydrochloric Acid SCHEMBL9574577 | 0.72 | ALDH1A1 (0.42) | ALDH1A1KMT2AMEN1NPSR1CYP2D6 | |
| SCHEMBL27627786 | 0.71 | TAAR1 (0.43) | ALDH1A1NPSR1CYP2D6CYP1A2TDP1 | |
| Hydrochloric Acid SCHEMBL3848581 | 0.67 | ALDH1A1 (0.45) | ALDH1A1THRBSIGMAR1TP53 | |
| Hydrochloric Acid SCHEMBL9574607 | 0.66 | ALDH1A1 (0.45) | ALDH1A1KMT2AMEN1NPSR1CYP2D6 | |
| Hydrochloric Acid SCHEMBL648278 | 0.65 | SIRT2 (0.36) | SIGMAR1 | |
| Hydrochloric Acid SCHEMBL7624854 | 0.65 | TDP1 (0.41) | ALDH1A1KMT2AMEN1NPSR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1559709-A1 | Heterocycle-containing carboxylic acid derivative and drug containing the same | Eisai Co., Ltd. (JP) | 2005-08-03 | — | — | EP | disclosed |
| EP-0838453-B1 | HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME | EISAI CO LTD (JP) | 2005-04-27 | — | — | EP | disclosed |
| US-6884808-B2 | Heterocycle-containing carboxylic acid derivative and drug containing the same | EISAI CO. LTD. (JP) | 2005-04-26 | — | — | US | disclosed |
| US-6630463-B2 | Such as 4-(4-(2-(2-(5,6,7,8-tetrahydro-5,5,8,8 -tetramethylquinoxalyl))pyrrolyl))benzoic acid; for treatment of acute promyelocytic leukemia | EISAI CO. LTD. (JP) | 2003-10-07 | — | — | US | disclosed |
| US-20030144276-A1 | Heterocycle-containing carboxylic acid derivative and drug containing the same | EISAI CO. LTD. | 2003-07-31 | — | — | US | disclosed |
| WO-2003062230-A1 | CONBINATORIAL LIBRARY OF HETEROCYCLE COMPOUNDS | EISAI CO., LTD. (JP) | 2003-07-31 | — | — | WO | disclosed |
| US-6541474-B2 | Administering a pharmaceutically effective dose of the heterocycle-containing carboxylic acid derivative or salt to a patient suffering form acute promyelocytic leukemia | EISAI CO. LTD. (JP) | 2003-04-01 | — | — | US | disclosed |
| US-20020103234-A1 | Heterocycl-containing carboxylic acid derivative and drug containing the same | EISAI CO. LTD. | 2002-08-01 | — | — | US | disclosed |
| US-20020032202-A1 | Heterocycle-containing carboxylic acid derivative and drug containing the same | EISAI CO. LTD. | 2002-03-14 | — | — | US | disclosed |
| US-6329402-B1 | FOR THERAPY OF ACUTE PROMYELOCYTIC LEUKEMIA | EISAI CO., LTD. (JP) | 2001-12-11 | — | — | US | disclosed |
| US-5977108-A | LEUKEMIA | EISAI CO., LTD (JP) | 1999-11-02 | — | — | US | disclosed |
| EP-0838453-A1 | HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME | Eisai Co., Ltd. (JP) | 1998-04-29 | — | — | EP | 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 (3 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-20020103234-A1 | Heterocycl-containing carboxylic acid derivative and drug containing the same | RARA, RARB, RARG | DRD3 554/4885SIGMAR1 1477/4885GAA 978/4885 |
| US-20030144276-A1 | Heterocycle-containing carboxylic acid derivative and drug containing the same | RARA, RARB, RARG | DRD3 532/4885SIGMAR1 1320/4885GAA 1001/4885 |
| US-20020032202-A1 | Heterocycle-containing carboxylic acid derivative and drug containing the same | RARA, RARB, RARG | DRD3 532/4885SIGMAR1 1320/4885GAA 1001/4885 |
“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.