Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.47 |
| ▸ | BAD | Q92934 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL13864066 | 0.81 | NFE2L2 (0.65) | MAPTTNFRSF1ACES2CES1CYP1A2 | |
| SCHEMBL3305728 | 0.80 | NFE2L2 (0.64) | MAPTTNFRSF1ACES2CES1CA1 | |
| SCHEMBL3305717 | 0.80 | NFE2L2 (0.64) | MAPTTNFRSF1ACES2CES1CA1 | |
| SCHEMBL3305722 | 0.80 | NFE2L2 (0.64) | MAPTTNFRSF1ACES2CES1CA1 | |
| SCHEMBL11713737 | 0.80 | MAPT (0.59) | MAPTTNFRSF1ACES2CES1CYP1A2 | |
| SCHEMBL3310067 | 0.79 | CYP1A2 (0.55) | MAPTCES2CES1CYP1A2CA1 | |
| SCHEMBL3305322 | 0.79 | CES2 (0.48) | MAPTCES2CES1CA1ALDH1A1 | |
| SCHEMBL20673437 | 0.79 | ALDH1A1 (0.59) | MAPTCES2CES1ALDH1A1KDM4E | |
| SCHEMBL3305324 | 0.79 | CES2 (0.48) | MAPTCES2CES1CA1ALDH1A1 | |
| SCHEMBL8089458 | 0.79 | ALOX15 (0.52) | MAPTCES2CES1CYP1A2CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6048896-A | FOR TREATMENT OF BRAIN OR NERVOUS SYSTEM DISORDERS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-04-11 | — | — | US | disclosed |
| EP-0858442-A1 | 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY | PHARMACIA & UPJOHN S.p.A. (IT) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997017316-A1 | 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-05-15 | — | — | WO | disclosed |