Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL893244 | 0.87 | CYP3A4 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7187477 | 0.85 | CYP3A4 (0.55) | CYP3A4TDP1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8852466 | 0.85 | CYP3A4 (0.55) | CYP3A4TDP1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7182113 | 0.85 | CYP3A4 (0.55) | CYP3A4TDP1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7179464 | 0.85 | CYP3A4 (0.55) | CYP3A4TDP1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7448721 | 0.85 | CYP3A4 (0.55) | CYP3A4TDP1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7188747 | 0.85 | CYP3A4 (0.55) | CYP3A4TDP1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8915178 | 0.85 | CYP3A4 (0.55) | CYP3A4TDP1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL893383 | 0.81 | CYP3A4 (0.55) | CYP3A4TDP1CYP2D6CYP2C19 | |
| SCHEMBL893198 | 0.81 | CYP3A4 (0.55) | CYP3A4TDP1CYP2D6CYP2C19 |
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-2081917-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | Abbott Laboratories (US) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008027932-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-03-06 | — | — | WO | disclosed |