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 | |
|---|---|---|---|---|
| ▸ | SRC known ✓ | P12931 | 9/20 | 0.60 |
| ▸ | KDR known ✓ | P35968 | 8/20 | 0.60 |
| ▸ | JAK2 known ✓ | O60674 | 2/20 | 0.60 |
| ▸ | RET known ✓ | P07949 | 2/20 | 0.60 |
| ▸ | NTRK3 known ✓ | Q16288 | 2/20 | 0.60 |
| ▸ | PRKD3 known ✓ | O94806 | 1/20 | 0.60 |
| ▸ | NTRK1 known ✓ | P04629 | 1/20 | 0.60 |
| ▸ | LCK known ✓ | P06239 | 1/20 | 0.60 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.60 |
| ▸ | EGFR known ✓ | P00533 | 9/20 | 0.53 |
| ▸ | PIK3CD known ✓ | O00329 | 7/20 | 0.48 |
| ▸ | ABL1 known ✓ | P00519 | 7/20 | 0.48 |
| ▸ | PIK3CA known ✓ | P42336 | 7/20 | 0.48 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.43 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.60 |
| ▸ | CDK1 | P06493 | 2/20 | 0.60 |
| ▸ | ROS1 | P08922 | 2/20 | 0.60 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.60 |
| ▸ | CDK2 | P24941 | 2/20 | 0.60 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.60 |
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 SCHEMBL4824866 | 1.00 | SRC (0.60) | SRCKDRJAK2RETDYRK3 | |
| Hydrochloric Acid SCHEMBL17911530 | 1.00 | SRC (0.60) | SRCKDRJAK2RETDYRK3 | |
| SCHEMBL13860277 | 0.99 | SRC (0.62) | SRCKDRJAK2RETDYRK3 | |
| SCHEMBL4826019 | 0.99 | SRC (0.62) | SRCKDRJAK2RETDYRK3 | |
| Hydrochloric Acid SCHEMBL4826416 | 0.93 | SRC (0.63) | SRCKDRJAK2RETDYRK3 | |
| SCHEMBL24251864 | 0.91 | SRC (0.64) | SRCKDRJAK2RETDYRK3 | |
| SCHEMBL14693624 | 0.91 | SRC (0.64) | SRCKDRJAK2RETDYRK3 | |
| SCHEMBL4821519 | 0.91 | SRC (0.64) | SRCKDRJAK2RETDYRK3 | |
| Acetic Acid SCHEMBL4821413 | 0.91 | RET (0.57) | SRCKDRJAK2RETDYRK3 | |
| Acetic Acid SCHEMBL4821418 | 0.91 | RET (0.57) | SRCKDRJAK2RETDYRK3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10196397-B2 | Process for the preparation of ibrutinib | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2019-02-05 | — | — | US | disclosed |
| US-20170320879-A1 | A PROCESS FOR THE PREPARATION OF IBRUTINIB | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2017-11-09 | — | — | US | disclosed |
| EP-3221320-A1 | A PROCESS FOR THE PREPARATION OF IBRUTINIB | Sun Pharmaceutical Industries Ltd (IN) | 2017-09-27 | — | — | EP | disclosed |
| WO-2016079693-A1 | A PROCESS FOR THE PREPARATION OF IBRUTINIB | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2016-05-26 | — | — | 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 (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-20170320879-A1 | A PROCESS FOR THE PREPARATION OF IBRUTINIB | BTK, SYK, IGLV6-57 | SRC 46/4885KDR 357/4885JAK2 12/4885 |
| US-10196397-B2 | Process for the preparation of ibrutinib | BTK, IGLV6-57, SYK | SRC 56/4885KDR 324/4885JAK2 11/4885 |
“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.