Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 8/20 | 0.51 |
| ▸ | ACACA | Q13085 | 4/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.41 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 1/20 | 0.41 |
| ▸ | SKP1 | P63208 | 1/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL135184 | 0.82 | ALOX15 (0.50) | ACACBACACADRD2CKS1BSKP1 | |
| Hydrochloric Acid SCHEMBL1021411 | 0.80 | ALOX15 (0.49) | ACACBACACADRD2CKS1BSKP1 | |
| SCHEMBL942080 | 0.80 | ACACB (0.55) | ACACBACACADRD2CKS1BSKP1 | |
| SCHEMBL942082 | 0.80 | ACACB (0.55) | ACACBACACADRD2CKS1BSKP1 | |
| SCHEMBL971262 | 0.78 | TRPA1 (0.41) | ACACB | |
| SCHEMBL30364162 | 0.78 | LMNA (0.58) | ACACBDRD2MEN1KMT2A | |
| SCHEMBL25231309 | 0.77 | ALOX15 (0.46) | ACACBACACADRD2CKS1BSKP1 | |
| SCHEMBL12916519 | 0.75 | GPR119 (0.57) | ACACBACACADRD2CKS1BSKP1 | |
| SCHEMBL24290423 | 0.75 | ACACB (0.47) | ACACBACACADRD2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3524689 | 0.75 | KDM1A (0.39) | BDKRB2BDKRB1CHRM1MEN1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0691959-A1 | HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1996-01-17 | — | — | EP | disclosed |
| WO-1994022834-A1 | HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1994-10-13 | — | — | WO | disclosed |