Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 3/20 | 0.42 |
| ▸ | CMA1 | P23946 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | CTSG | P08311 | 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 | |
|---|---|---|---|---|
| SCHEMBL3586865 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP2C9CYP2C19CYP1A2CES2 | |
| SCHEMBL6845352 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP2C9CYP2C19CYP1A2CES2 | |
| SCHEMBL7440703 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP2C19CYP1A2CES2 | |
| SCHEMBL28739289 | 0.79 | CYP2C9 (0.53) | ALDH1A1CYP2C9CYP2C19CYP1A2CES2 | |
| SCHEMBL234580 | 0.79 | CES2 (0.76) | CYP2C19CYP1A2CES2CES1TDP1 | |
| Benzene SCHEMBL28201061 | 0.79 | CES2 (0.76) | CYP2C19CYP1A2CES2CES1TDP1 | |
| SCHEMBL604040 | 0.79 | CES2 (0.76) | CYP2C19CYP1A2CES2CES1TDP1 | |
| SCHEMBL5899350 | 0.79 | CES2 (0.76) | CYP2C19CYP1A2CES2CES1TDP1 | |
| SCHEMBL2369774 | 0.79 | ALDH1A1 (0.57) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL1514613 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0555328-A1 | PLATELET AGGREGATION INHIBITORS | GENENTECH, INC. (US) | 1993-08-18 | — | — | EP | disclosed |
| WO-1992007870-A1 | PLATELET AGGREGATION INHIBITORS | GENENTECH, INC. (US) | 1992-05-14 | — | — | WO | disclosed |
| EP-0482080-A1 | SMALL CYCLIC PLATELET AGGREGATION INHIBITORS. | GENENTECH INC (US) | 1992-04-29 | — | — | EP | disclosed |
| WO-1991001331-A1 | SMALL CYCLIC PLATELET AGGREGATION INHIBITORS | GENENTECH, INC. (US) | 1991-02-07 | — | — | WO | disclosed |