Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2305731 | 0.88 | CES2 (0.50) | ALOX5CES2CES1KEAP1CYP2C19 | |
| Hydrochloric Acid SCHEMBL31462135 | 0.84 | CES2 (0.47) | ALOX5CES2CES1KEAP1CYP2C19 | |
| SCHEMBL9814779 | 0.82 | ALOX5 (0.50) | ALOX5CES2CES1KEAP1CYP2C19 | |
| SCHEMBL9814775 | 0.82 | CES2 (0.46) | ALOX5CES2CES1KEAP1CYP2C19 | |
| SCHEMBL11630933 | 0.81 | CES2 (0.44) | ALOX5CES2CES1KEAP1CYP2C19 | |
| SCHEMBL11559658 | 0.80 | HPGD (0.42) | ALOX5CES2CES1KEAP1CYP2C19 | |
| SCHEMBL1226719 | 0.79 | ALOX5 (0.41) | ALOX5CES2CES1KEAP1CYP2C19 | |
| SCHEMBL27953125 | 0.78 | ALOX5 (0.49) | ALOX5CES2CES1KEAP1CYP2C19 | |
| SCHEMBL6317495 | 0.78 | MMP8 (0.42) | ALOX5CES2CES1KEAP1ALDH1A1 | |
| SCHEMBL11248301 | 0.76 | LMNA (0.40) | ALOX5CES2CES1KEAP1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0912467-B1 | ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE | RHODIA CHIMIE SA (FR) | 2002-04-24 | — | — | EP | claimed |