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 | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 6/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9874763 | 0.89 | TSHR (0.55) | KEAP1NFE2L2TSHRALDH1A1KMT2A | |
| SCHEMBL9873784 | 0.86 | TAS2R14 (0.44) | KEAP1NFE2L2TSHRALDH1A1KMT2A | |
| Sulfuric Acid SCHEMBL9324944 | 0.82 | HSP90AA1 (0.43) | KEAP1NFE2L2TSHRALDH1A1KMT2A | |
| SCHEMBL3662981 | 0.80 | CYP1A2 (0.38) | KEAP1NFE2L2CA12CA9TSHR | |
| SCHEMBL9193674 | 0.79 | TSHR (0.42) | KEAP1NFE2L2TSHRKMT2ARECQL | |
| SCHEMBL6911379 | 0.79 | CA12 (0.56) | CA12CA9TSHRALDH1A1KMT2A | |
| SCHEMBL9743711 | 0.79 | NPSR1 (0.46) | TSHRALDH1A1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL124582 | 0.79 | NPSR1 (0.46) | TSHRALDH1A1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL28237377 | 0.78 | KEAP1 (0.54) | KEAP1NFE2L2CA12CA9ALDH1A1 | |
| SCHEMBL11657578 | 0.78 | CA12 (0.59) | CA12CA9TSHRALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991009020-A2 | PRODUCTION OF 5-(4'-HYDROXYPHENYL)HYDANTOIN AND D-p-HYDROXYPHENYLGLYCINE FROM 4-HYDROXYACETOPHENONE | HOECHST CELANESE CORPORATION (US) | 1991-06-27 | — | — | WO | disclosed |
| US-5013477-A | Alkenylbicyclohexane liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1991-05-07 | — | — | US | disclosed |