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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA known ✓ | P42336 | 12/20 | 0.38 |
| ▸ | PIK3CD known ✓ | O00329 | 3/20 | 0.38 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 12/20 | 0.41 |
| ▸ | RPTOR | Q8N122 | 10/20 | 0.38 |
| ▸ | MLST8 | Q9BVC4 | 10/20 | 0.38 |
| ▸ | PIK3R1 | P27986 | 8/20 | 0.38 |
| ▸ | RICTOR | Q6R327 | 6/20 | 0.38 |
| ▸ | MAPKAP1 | Q9BPZ7 | 6/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 3/20 | 0.38 |
| ▸ | ATR | Q13535 | 5/20 | 0.37 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.36 |
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 SCHEMBL444474 | 1.00 | MTOR (0.41) | MTORPIK3CARPTORMLST8PIK3R1 | |
| SCHEMBL23493533 | 0.99 | MTOR (0.42) | MTORPIK3CARPTORMLST8PIK3R1 | |
| SCHEMBL2625446 | 0.99 | MTOR (0.42) | MTORPIK3CARPTORMLST8PIK3R1 | |
| Hydrochloric Acid SCHEMBL443379 | 0.89 | MTOR (0.43) | MTORPIK3CARPTORMLST8PIK3R1 | |
| Hydrochloric Acid SCHEMBL443380 | 0.89 | MTOR (0.43) | MTORPIK3CARPTORMLST8PIK3R1 | |
| SCHEMBL413900 | 0.88 | MTOR (0.44) | MTORPIK3CARPTORMLST8PIK3R1 | |
| SCHEMBL442259 | 0.88 | MTOR (0.44) | MTORPIK3CARPTORMLST8PIK3R1 | |
| SCHEMBL463886 | 0.82 | MTOR (0.45) | MTORPIK3CARPTORMLST8PIK3R1 | |
| SCHEMBL2710270 | 0.80 | MTOR (0.46) | MTORPIK3CARPTORMLST8PIK3R1 | |
| SCHEMBL2710274 | 0.80 | MTOR (0.46) | MTORPIK3CARPTORMLST8PIK3R1 |
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-2406258-B1 | PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | CELLZOME LTD (GB) | 2014-12-03 | — | — | EP | disclosed |
| US-20140296234-A1 | PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS | CELLZOME LIMITED | 2014-10-02 | — | — | US | disclosed |
| US-8785457-B2 | Pyrimidine derivatives as mTOR inhibitors | CELLZOME LIMITED (GB) | 2014-07-22 | — | — | US | disclosed |
| EP-2318377-B1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH INC (US) | 2013-08-21 | — | — | EP | disclosed |
| US-20120165313-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2012-06-28 | — | — | US | disclosed |
| US-8163763-B2 | Pyrimidine compounds, compositions and methods of use | GENENTECH, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20120065202-A1 | PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | CELLZOME LIMITED (GB) | 2012-03-15 | — | — | US | disclosed |
| EP-2406258-A1 | PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | Cellzome Limited (GB) | 2012-01-18 | — | — | EP | disclosed |
| EP-2318377-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Genentech, Inc. (US) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010103094-A1 | PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | CELLZOME LIMITED (GB) | 2010-09-16 | — | — | WO | disclosed |
| US-20100069357-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-03-18 | — | — | US | disclosed |
| WO-2010014939-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-02-04 | — | — | WO | 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-20120065202-A1 | PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MTOR, RICTOR, RPTOR | PIK3CA 29/4885PIK3CD 112/4885HTR2C 3560/4885 |
| US-20140296234-A1 | PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS | MTOR, RICTOR, RPTOR | PIK3CA 29/4885PIK3CD 112/4885HTR2C 3560/4885 |
| US-20120165313-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | MTOR, TYMS, DTYMK | PIK3CA 4/4885PIK3CD 13/4885HTR2C 2413/4885 |
| US-20100069357-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | MTOR, TYMS, DTYMK | PIK3CA 4/4885PIK3CD 13/4885HTR2C 2413/4885 |
“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.