Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | BRD4 | O60885 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7828683 | 1.00 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7822120 | 0.87 | MEN1 (0.64) | CYP3A4CYP2C9CYP2C19ALDH1A1HPGD | |
| SCHEMBL7822118 | 0.87 | MEN1 (0.64) | CYP3A4CYP2C9CYP2C19ALDH1A1HPGD | |
| SCHEMBL7813617 | 0.83 | ALDH1A1 (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL7813619 | 0.83 | ALDH1A1 (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL27543049 | 0.83 | ALDH1A1 (0.70) | CYP3A4CYP2C9CYP2C19ALDH1A1HPGD | |
| SCHEMBL847806 | 0.83 | NPC1 (0.57) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL12015311 | 0.82 | ALDH1A1 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7822412 | 0.82 | ALDH1A1 (0.65) | CYP3A4CYP2C9CYP2C19ALDH1A1HPGD | |
| SCHEMBL7822408 | 0.82 | ALDH1A1 (0.65) | CYP3A4CYP2C9CYP2C19ALDH1A1HPGD |
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-1091958-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001692-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2000-01-13 | — | — | WO | disclosed |