Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR4 | O95977 | 5/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 5/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.33 |
| ▸ | ABAT | P80404 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17967133 | 0.82 | ALDH1A1 (0.41) | ALDH1A1F10CYP2A6F2NPC1 | |
| SCHEMBL6610775 | 0.82 | UNG (0.41) | S1PR4S1PR1S1PR5S1PR3CYP1A2 | |
| SCHEMBL8046766 | 0.79 | ALDH5A1 (0.36) | ALDH1A1ALDH5A1ABATEGFRCYP2A6 | |
| SCHEMBL8046771 | 0.79 | ALDH5A1 (0.36) | ALDH1A1ALDH5A1ABATEGFRCYP2A6 | |
| SCHEMBL12212988 | 0.70 | NPC1 (0.62) | ALDH1A1ALDH5A1ABATAKR1C3AKR1C1 | |
| SCHEMBL12212992 | 0.70 | NPC1 (0.62) | ALDH1A1ALDH5A1ABATAKR1C3AKR1C1 | |
| SCHEMBL12212990 | 0.70 | AKR1C3 (0.56) | CYP2D6ALDH1A1ALDH5A1ABATAKR1C3 | |
| SCHEMBL17967266 | 0.68 | EPHX2 (0.44) | NPC1RAB9A | |
| SCHEMBL11827531 | 0.67 | CYP2A6 (0.33) | ALDH1A1ALDH5A1ABATCYP2A6KDM4E | |
| SCHEMBL12213006 | 0.67 | AKR1C3 (0.41) | ALDH1A1ALDH5A1ABATAKR1C3AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1463724-A1 | PYRROLIDONE CARBOXAMIDES | Actelion Pharmaceuticals Ltd. (CH) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003059905-A1 | PYRROLIDONE CARBOXAMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2003-07-24 | — | — | WO | disclosed |