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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL783991 | 0.99 | MAPK1 (0.50) | MAPK1KMT2AMEN1GAAMAPT | |
| SCHEMBL20965348 | 0.90 | MAPK1 (0.55) | MAPK1KMT2AMEN1GAAMAPT | |
| SCHEMBL21725467 | 0.82 | MAPK1 (0.48) | MAPK1KMT2AMEN1GAAMAPT | |
| SCHEMBL20964536 | 0.80 | MAPK1 (0.46) | MAPK1KMT2AMEN1GAAMAPT | |
| Hydrochloric Acid SCHEMBL27649600 | 0.79 | KMT2A (0.53) | MAPK1KMT2AMEN1GAAMAPT | |
| SCHEMBL29858300 | 0.79 | MAPK1 (0.50) | MAPK1KMT2AMEN1GAAMAPT | |
| SCHEMBL10192289 | 0.79 | KMT2A (0.56) | MAPK1KMT2AMEN1GAAMAPT | |
| SCHEMBL28824727 | 0.79 | MAPK1 (0.50) | MAPK1KMT2AMEN1GAAMAPT | |
| SCHEMBL26464607 | 0.78 | MAPK1 (0.50) | MAPK1KMT2AMEN1GAAMAPT | |
| SCHEMBL784569 | 0.78 | MAPK1 (0.52) | MAPK1KMT2AMEN1GAALMNA |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1694648-B1 | 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES | BAYER SAS (FR) | 2015-07-29 | — | — | EP | disclosed |
| EP-1694649-B1 | 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES | BAYER SAS (FR) | 2014-01-22 | — | — | EP | disclosed |
| US-8318777-B2 | 2-pyridinylethylcarboxamide derivatives and their use as fungicides | BAYER SAS (FR) | 2012-11-27 | — | — | US | disclosed |
| US-20120071517-A1 | 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES | BAYER SAS (FR) | 2012-03-22 | — | — | US | disclosed |
| US-8071627-B2 | 2-pyridinylethylcarboxamide derivatives and their use as fungicides | BAYER SAS (FR) | 2011-12-06 | — | — | US | disclosed |
| CN-1898210-B | 2-pyridinylethylcarboxamide derivatives and their use as fungicides | BAYER CROPSCIENCE SA | 2011-03-30 | — | — | CN | disclosed |
| US-7560567-B2 | 2-pyridinylethylbenzamide derivatives | BAYER CROPSCIENCE S.A. (FR) | 2009-07-14 | — | — | US | disclosed |
| US-20090088456-A1 | 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides | BAYER CROPSCIENCE S.A. | 2009-04-02 | — | — | US | disclosed |
| CN-100471839-C | 2-pyridinylethylbenzamide derivatives | BAYER CROPSCIENCE SA (FR) | 2009-03-25 | — | — | CN | disclosed |
| US-20070117845-A1 | 2-Pyridinylethylcarboxamide derivatives and their use as fungicides | BAYER CROPSCIENCE S.A. (FR) | 2007-05-24 | — | — | US | disclosed |
| US-20070099965-A1 | 2-Pyridinylethylbenzamide derivatives | BAYER SAS (FR) | 2007-05-03 | — | — | US | disclosed |
| CN-1898210-A | 2-pyridinylethylcarboxamide derivatives and their use as fungicides | BAYER CROPSCIENCE SA (FR) | 2007-01-17 | — | — | CN | disclosed |
| CN-1898207-A | 2-pyridinylethylbenzamide derivatives | BAYER CROPSCIENCE SA (FR) | 2007-01-17 | — | — | CN | disclosed |
| EP-1694648-A1 | 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES | Bayer CropScience S.A. (FR) | 2006-08-30 | — | — | EP | disclosed |
| EP-1694649-A1 | 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES | Bayer CropScience S.A. (FR) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005058828-A1 | 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES | BAYER CROPSCIENCE S.A. (FR) | 2005-06-30 | — | — | WO | disclosed |
| WO-2005058833-A1 | 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES | BAYER CROPSCIENCE SA (FR) | 2005-06-30 | — | — | WO | disclosed |
| EP-1548007-A1 | 2-Pyridinylethylcarboxamide derivatives and their use as fungicides | Bayer CropScience S.A. (FR) | 2005-06-29 | — | — | 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 (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-20090088456-A1 | 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides | PFAS, CYP4F2, FPGS | GAA 83/4885MAPK1 4147/4885KMT2A 1855/4885 |
| US-20070117845-A1 | 2-Pyridinylethylcarboxamide derivatives and their use as fungicides | CYP1A2, PNPO, PFAS | GAA 114/4885MAPK1 3144/4885KMT2A 937/4885 |
| US-20120071517-A1 | 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES | CYP1A2, CYP51A1, CYP3A5 | GAA 230/4885MAPK1 3109/4885KMT2A 817/4885 |
| US-20070099965-A1 | 2-Pyridinylethylbenzamide derivatives | CYP1A2, CYP4B1, CYP4F2 | GAA 51/4885MAPK1 3077/4885KMT2A 1093/4885 |
“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.