Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.63 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8778284 | 0.78 | KEAP1 (0.42) | LMNAMAPK1HPGD | |
| SCHEMBL3606167 | 0.77 | CYP2A6 (1.00) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL5795505 | 0.75 | PDGFRB (0.48) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL24318549 | 0.75 | CYP2A6 (0.66) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL5133848 | 0.73 | KEAP1 (0.52) | PDGFRBPDGFRAALDH1A1GAA | |
| SCHEMBL5468292 | 0.72 | CYP19A1 (0.52) | CYP2A6CYP3A4PDE10ANPC1CYP19A1 | |
| SCHEMBL8137336 | 0.70 | POLB (0.64) | CYP2A6CYP3A4CYP2D6CYP2C19PDE10A | |
| SCHEMBL28018862 | 0.70 | CYP11B1 (0.56) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL4881988 | 0.69 | CYP2A6 (0.61) | CYP2A6CYP3A4PDE10ANPC1CYP19A1 | |
| SCHEMBL30199921 | 0.69 | CYP2A6 (0.61) | CYP2A6CYP3A4PDE10ANPC1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006018544-A1 | COMPOSITION CONTAINING A THIOPHENIC OR BENZOTHIOPHENIC COMPOUND AND EXHIBITING A PUMP NORA INHIBITING ACTIVITY | UNIVERSITE CLAUDE BERNARD LYON I (FR) | 2006-02-23 | — | — | WO | claimed |
| WO-2006018544-A1 | COMPOSITION CONTAINING A THIOPHENIC OR BENZOTHIOPHENIC COMPOUND AND EXHIBITING A PUMP NORA INHIBITING ACTIVITY | UNIVERSITE CLAUDE BERNARD LYON I (FR) | 2006-02-23 | — | — | WO | disclosed |