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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.34 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | PPARD | Q03181 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL282085 | 0.97 | TSHR (0.60) | TSHRPPARDTP53TDP1MEN1 | |
| Oxalic Acid SCHEMBL282616 | 0.85 | TSHR (0.48) | TSHRPPARDTP53TDP1MEN1 | |
| Oxalic Acid SCHEMBL27997610 | 0.85 | TSHR (0.48) | TSHRPPARDTP53TDP1MEN1 | |
| Hydrochloric Acid SCHEMBL11686519 | 0.79 | PPARD (0.56) | TSHRPPARDTP53TDP1MEN1 | |
| Hydrochloric Acid SCHEMBL9004772 | 0.78 | TSHR (0.48) | TSHRPPARDTP53TDP1ACHE | |
| SCHEMBL479207 | 0.76 | PPARD (0.58) | TSHRPPARDTP53TDP1MEN1 | |
| Hydrochloric Acid SCHEMBL11799477 | 0.75 | CYP3A4 (0.56) | TSHR | |
| SCHEMBL3485999 | 0.74 | TSHR (0.60) | TSHRPPARDTP53TDP1MEN1 | |
| Hydrochloric Acid SCHEMBL11024498 | 0.74 | — | — | |
| SCHEMBL3780129 | 0.74 | TSHR (0.75) | TSHRPPARDTP53TDP1MEN1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150313889-A1 | HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE | AJINOMOTO CO., INC. (JP) | 2015-11-05 | — | — | US | disclosed |
| US-9115107-B2 | Heteroarylcarboxylic acid ester derivative | AJINOMOTO CO., INC. (JP) | 2015-08-25 | — | — | US | disclosed |
| EP-2511271-B1 | HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE | AJINOMOTO KK (JP) | 2015-01-21 | — | — | EP | disclosed |
| US-20150011511-A1 | HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE | AJINOMOTO CO., INC. (JP) | 2015-01-08 | — | — | US | disclosed |
| US-8877805-B2 | Heteroarylcarboxylic acid ester derivative | AJINOMOTO CO., INC. (JP) | 2014-11-04 | — | — | US | disclosed |
| US-20140080790-A1 | HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE | AJINOMOTO CO., INC. (JP) | 2014-03-20 | — | — | US | disclosed |
| US-8609715-B2 | Heteroarylcarboxylic acid ester derivative | AJINOMOTO CO., INC. (JP) | 2013-12-17 | — | — | US | disclosed |
| CN-102822154-A | Heteroarylcarboxylic acid ester derivative | AJINOMOTO KK | 2012-12-12 | — | — | CN | disclosed |
| US-20120283222-A1 | HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE | AJINOMOTO CO., INC. (JP) | 2012-11-08 | — | — | US | disclosed |
| EP-2511271-A1 | HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE | AJINOMOTO CO., INC. (JP) | 2012-10-17 | — | — | EP | disclosed |
| US-5304549-A | Control or prevention of degenerative joint diseases | HOFFMANN-LA ROCHE INC. (US) | 1994-04-19 | — | — | US | disclosed |
| EP-0497192-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-08-05 | — | — | EP | disclosed |
| US-4258040-A | Cephalosporin compounds | MERCK & CO., INC. (US) | 1981-03-24 | — | — | US | disclosed |
| US-4060687-A | Cephalosporins having a 3-α substituted alkyl grouping | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |
| US-4022761-A | HORMONES | PARKE, DAVIS & COMPANY (US) | 1977-05-10 | — | — | US | disclosed |
| US-3962224-A | CHEMICAL INTERMEDIATES FOR ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-06-08 | — | — | US | disclosed |
| US-3947413-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-03-30 | — | — | 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-20140080790-A1 | HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE | DPP4, DPP9, DPP7 | GAA 261/4885ACHE 1419/4885TSHR 3472/4885 |
| US-20120283222-A1 | HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE | DPP4, DPP9, DPP7 | GAA 261/4885ACHE 1419/4885TSHR 3472/4885 |
| US-20150011511-A1 | HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE | DPP4, DPP9, DPP7 | GAA 261/4885ACHE 1419/4885TSHR 3472/4885 |
| US-20150313889-A1 | HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE | DPP4, DPP9, DPP7 | GAA 261/4885ACHE 1419/4885TSHR 3472/4885 |
“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.