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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 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 | |
|---|---|---|---|---|
| SCHEMBL27777022 | 0.81 | ALDH1A1 (0.50) | CYP2C9CYP1A2ALDH1A1KMT2ARAB9A | |
| SCHEMBL27748609 | 0.81 | TDP1 (0.46) | CYP2C9CYP1A2ALDH1A1KMT2ATDP1 | |
| Adipic Acid SCHEMBL5313716 | 0.76 | ALDH1A1 (0.50) | CYP2C9ALDH1A1KMT2ARAB9ATDP1 | |
| SCHEMBL4898873 | 0.76 | KMT2A (0.49) | ALDH1A1KMT2ARAB9AMAPTL3MBTL1 | |
| Propene SCHEMBL11202514 | 0.75 | TDP1 (0.57) | CYP2C9ALDH1A1KMT2ATDP1HTT | |
| Acrylic Acid SCHEMBL10535828 | 0.74 | TDP1 (0.52) | CYP2C9CYP1A2ALDH1A1TDP1HTT | |
| SCHEMBL14994599 | 0.73 | TDP1 (0.55) | CYP2C9CYP1A2ALDH1A1TDP1HTT | |
| SCHEMBL28003018 | 0.73 | TDP1 (0.55) | CYP2C9CYP1A2ALDH1A1TDP1HTT | |
| Vinyl Chloride SCHEMBL27724774 | 0.73 | TDP1 (0.55) | CYP2C9CYP1A2ALDH1A1TDP1HTT | |
| Ethylene SCHEMBL28823818 | 0.73 | GAA (0.56) | CYP2C9ALDH1A1KMT2ATDP1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5412038-A | Process utilizing alkenylcarboxylate crosslinkers | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1995-05-02 | — | — | US | disclosed |