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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL9261231 | 0.86 | SMN1; SMN2 (0.57) | MEN1KMT2AALDH1A1MAPTPOLB | |
| Sulfuric Acid SCHEMBL28500086 | 0.86 | PARP1 (0.57) | MEN1KMT2AAKR1C3ALDH1A1MAPT | |
| SCHEMBL7872637 | 0.86 | AKR1C3 (0.48) | MEN1KMT2AAKR1C3ALDH1A1MAPT | |
| Benzoic Acid SCHEMBL7747508 | 0.85 | SMN1; SMN2 (0.55) | MEN1KMT2AALDH1A1MAPTPOLB | |
| 4-Methylbenzoic Acid SCHEMBL6057207 | 0.83 | SMN1; SMN2 (0.68) | MEN1KMT2AALDH1A1MAPTPOLB | |
| SCHEMBL14406 | 0.82 | PARP1 (0.65) | MEN1KMT2AALDH1A1MAPTPOLB | |
| SCHEMBL29382709 | 0.82 | PARP1 (0.65) | MEN1KMT2AALDH1A1MAPTPOLB | |
| SCHEMBL142937 | 0.82 | PARP1 (0.65) | MEN1KMT2AALDH1A1MAPTPOLB | |
| Toluene SCHEMBL180606 | 0.80 | SMN1; SMN2 (0.65) | ALDH1A1MAPTPOLBRECQLSMN1; SMN2 | |
| SCHEMBL6915713 | 0.80 | PARP1 (0.63) | MEN1KMT2AALDH1A1MAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-106905503-A | Polyurethane resin composition and synthetic leather | DIC株式会社 | 2017-06-30 | — | — | CN | disclosed |