Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UNG | P13051 | 1/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6614019 | 0.82 | S1PR4 (0.41) | S1PR4S1PR1S1PR3S1PR5CYP1A2 | |
| SCHEMBL16574871 | 0.74 | NPC1 (0.51) | UNGS1PR5TRIM24TRIM33AKR1C3 | |
| SCHEMBL23425330 | 0.72 | FFAR1 (0.46) | UNGTRIM24TRIM33ALDH1A1KMT2A | |
| SCHEMBL21501037 | 0.72 | FFAR1 (0.46) | UNGTRIM24TRIM33ALDH1A1KMT2A | |
| SCHEMBL21501043 | 0.72 | FFAR1 (0.46) | UNGTRIM24TRIM33ALDH1A1KMT2A | |
| SCHEMBL878913 | 0.69 | CHRNB2 (0.49) | CYP1A2CYP2D6CYP2C19DRD2DRD1 | |
| SCHEMBL29891340 | 0.68 | AKR1C3 (0.54) | S1PR4S1PR1S1PR3S1PR5SLC1A2 | |
| SCHEMBL31424170 | 0.68 | AKR1C3 (0.54) | S1PR4S1PR1S1PR3S1PR5SLC1A2 | |
| SCHEMBL21238887 | 0.67 | KDM1A (0.55) | CYP1A2CYP2D6CYP2C19DRD3CYP2A6 | |
| SCHEMBL17967133 | 0.67 | ALDH1A1 (0.41) | ALDH1A1CYP2A6NPC1RAB9A |
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 |