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 | |
|---|---|---|---|---|
| ▸ | ROCK2 known ✓ | O75116 | 5/20 | 0.97 |
| ▸ | ROCK1 known ✓ | Q13464 | 5/20 | 0.97 |
| ▸ | PRKD3 known ✓ | O94806 | 2/20 | 0.97 |
| ▸ | PRKCD known ✓ | Q05655 | 3/20 | 0.84 |
| ▸ | NTRK3 known ✓ | Q16288 | 1/20 | 0.57 |
| ▸ | CHRNB1 known ✓ | P11230 | 1/20 | 0.49 |
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.49 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 16/20 | 0.97 |
| ▸ | PRKACA | P17612 | 5/20 | 0.97 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.97 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.97 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.97 |
| ▸ | PKN2 | Q16513 | 4/20 | 0.97 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.97 |
| ▸ | STK17A | Q9UEE5 | 4/20 | 0.97 |
| ▸ | PIM1 | P11309 | 4/20 | 0.97 |
| ▸ | CLK2 | P49760 | 3/20 | 0.97 |
| ▸ | PRKX | P51817 | 3/20 | 0.97 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.97 |
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 SCHEMBL6855530 | 0.93 | AKT1 (0.97) | AKT1ROCK2PRKACAROCK1DYRK1A | |
| SCHEMBL6855179 | 0.91 | AKT1 (1.00) | AKT1ROCK2PRKACAROCK1DYRK1A | |
| SCHEMBL6835532 | 0.91 | AKT1 (1.00) | AKT1ROCK2PRKACAROCK1DYRK1A | |
| SCHEMBL6835505 | 0.84 | AKT1 (0.74) | AKT1ROCK2PRKACAROCK1DYRK1A | |
| SCHEMBL6833449 | 0.79 | AKT1 (0.68) | AKT1ROCK2PRKACAROCK1DYRK1A | |
| SCHEMBL6833448 | 0.79 | AKT1 (0.68) | AKT1ROCK2PRKACAROCK1DYRK1A | |
| Hydrochloric Acid SCHEMBL6833433 | 0.77 | AKT1 (0.60) | AKT1ROCK2PRKACAROCK1DYRK1A | |
| Hydrochloric Acid SCHEMBL6833457 | 0.76 | AKT1 (0.97) | AKT1ROCK2PRKACAROCK1DYRK1A | |
| SCHEMBL6833668 | 0.73 | ROCK2 (1.00) | AKT1ROCK2PRKACAROCK1DYRK1A | |
| Hydrochloric Acid SCHEMBL6830296 | 0.72 | AKT1 (0.66) | AKT1ROCK2PRKACAROCK1DYRK1A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831175-B2 | Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine | ABBOTT LABORATORIES | 2004-12-14 | — | — | US | claimed |
| EP-1463505-A2 | 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER | Abbott Laboratories (US) | 2004-10-06 | — | — | EP | claimed |
| US-20030199511-A1 | Kinase inhibitors | ABBVIE INC. | 2003-10-23 | — | — | US | claimed |
| US-20030187026-A1 | Kinase inhibitors | ABBOTT LABORATORIES | 2003-10-02 | — | — | US | claimed |
| WO-2003051366-A2 | 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER | ABBOTT LABORATORIES (US) | 2003-06-26 | — | — | WO | claimed |
| US-6831175-B2 | Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine | ABBOTT LABORATORIES | 2004-12-14 | — | — | US | disclosed |
| US-20030199511-A1 | Kinase inhibitors | ABBVIE INC. | 2003-10-23 | — | — | US | disclosed |
| US-20030187026-A1 | Kinase inhibitors | ABBOTT LABORATORIES | 2003-10-02 | — | — | 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 (2 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-20030187026-A1 | Kinase inhibitors | MAP3K20, MAP3K19, MAP3K1 | ROCK2 581/4885ROCK1 446/4885PRKD3 227/4885 |
| US-20030199511-A1 | Kinase inhibitors | MAP3K20, MAP3K19, MAP3K1 | ROCK2 581/4885ROCK1 446/4885PRKD3 227/4885 |
“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.