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 | |
|---|---|---|---|---|
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.46 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.50 |
| ▸ | FEN1 | P39748 | 1/20 | 0.50 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 SCHEMBL27663788 | 1.00 | TSHR (0.63) | TSHRKDM4EALDH1A1LMNAPKM | |
| SCHEMBL112377 | 0.98 | TSHR (0.65) | TSHRKDM4EALDH1A1LMNAPKM | |
| SCHEMBL29787113 | 0.98 | TSHR (0.65) | TSHRKDM4EALDH1A1LMNAPKM | |
| SCHEMBL4878766 | 0.96 | TSHR (0.63) | TSHRKDM4EALDH1A1LMNAPKM | |
| Hydrochloric Acid SCHEMBL4097228 | 0.94 | TSHR (0.61) | TSHRKDM4EALDH1A1LMNAPKM | |
| Cyclopropane SCHEMBL29077529 | 0.92 | TSHR (0.59) | TSHRKDM4EALDH1A1LMNAPKM | |
| SCHEMBL7578668 | 0.90 | TSHR (0.57) | TSHRKDM4EALDH1A1LMNAPKM | |
| SCHEMBL3787249 | 0.86 | KDM4E (0.52) | TSHRKDM4EALDH1A1LMNAKMT2A | |
| Trifluoroacetic Acid SCHEMBL7431372 | 0.85 | TSHR (0.56) | TSHRKDM4EALDH1A1LMNAPKM | |
| Hydrochloric Acid SCHEMBL404721 | 0.82 | CES2 (0.62) | TSHRKDM4EALDH1A1LMNAPKM |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090099210-A1 | ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF | ASTRAZENECA AB (SE) | 2009-04-16 | — | — | US | disclosed |
| US-20080293744-A1 | Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer | ASTRAZENECA AB (SE) | 2008-11-27 | — | — | US | disclosed |
| US-20080153854-A1 | NOVEL FUSED HETEROCYCLES AND USES THEREOF | ASTRAZENECA AB (SE) | 2008-06-26 | — | — | US | disclosed |
| US-20060063751-A1 | Novel fused heterocycles and uses thereof | ASTRAZENECA AB (SE) | 2006-03-23 | — | — | US | disclosed |
| US-20060041128-A1 | Selected fused heterocyclics and uses thereof | ASTRAZENECA AB (SE) | 2006-02-23 | — | — | US | disclosed |
| US-20060041129-A1 | Enantiomers of selected fused heterocyclics and uses thereof | ASTRAZENECA AB (SE) | 2006-02-23 | — | — | US | disclosed |
| WO-1999007413-A1 | SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN | ALGOS PHARMACEUTICAL CORPORATION (US) | 1999-02-18 | — | — | 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 (6 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-20060063751-A1 | Novel fused heterocycles and uses thereof | RB1, CDK19, PRMT9 | JAK2 896/4885PARP1 452/4885TSHR 732/4885 |
| US-20080153854-A1 | NOVEL FUSED HETEROCYCLES AND USES THEREOF | RB1, CDK19, PRMT9 | JAK2 896/4885PARP1 452/4885TSHR 732/4885 |
| US-20080293744-A1 | Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer | DHFR, DPYD, TYMS | JAK2 2088/4885PARP1 128/4885TSHR 3975/4885 |
| US-20060041128-A1 | Selected fused heterocyclics and uses thereof | SDHA, CYP11B2, NQO1 | JAK2 2311/4885PARP1 315/4885TSHR 4353/4885 |
| US-20090099210-A1 | ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF | CYP11B2, HCCS, CYP11B1 | JAK2 3139/4885PARP1 349/4885TSHR 4248/4885 |
| US-20060041129-A1 | Enantiomers of selected fused heterocyclics and uses thereof | CYP11B2, HCCS, CYP11B1 | JAK2 3139/4885PARP1 349/4885TSHR 4248/4885 |
“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.