Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| 1,2-Dichlorobenzene SCHEMBL10339120 | 0.84 | CYP1A2 (0.54) | CYP2A6CYP1A2CES1L3MBTL1CYP1B1 | |
| SCHEMBL701570 | 0.84 | CES1 (0.55) | CYP2A6CYP1A2CES1L3MBTL1CYP1B1 | |
| SCHEMBL24832355 | 0.83 | CYP1A2 (0.45) | CYP2A6CYP1A2CES1L3MBTL1CYP1A1 | |
| SCHEMBL4264384 | 0.79 | CES1 (0.50) | CYP2A6CYP1A2CES1L3MBTL1CYP1B1 | |
| SCHEMBL14241917 | 0.78 | ALDH1A1 (0.50) | CYP2A6CYP1A2L3MBTL1CYP1B1CYP1A1 | |
| SCHEMBL23024873 | 0.78 | L3MBTL1 (0.43) | CYP2A6CYP1A2CES1L3MBTL1CYP1B1 | |
| SCHEMBL24832356 | 0.77 | CES1 (0.56) | CYP2A6CYP1A2CES1L3MBTL1CYP1B1 | |
| SCHEMBL24832151 | 0.77 | CES1 (0.60) | CYP2A6CYP1A2CES1L3MBTL1ALOX5 | |
| SCHEMBL338172 | 0.77 | CES1 (0.55) | CYP2A6CYP1A2CES1L3MBTL1CYP1B1 | |
| SCHEMBL30716098 | 0.77 | CYP2A6 (0.46) | CYP2A6CYP1A2CES1L3MBTL1CYP1B1 |
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-107216229-A | A kind of method of chromic salts/methyl-magnesium-bromide selective catalytic hydrogenation polycyclic aromatic hydrocarbon | 四川大学 | 2017-09-29 | — | — | CN | disclosed |