Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 2/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7878909 | 0.93 | CHRNA7 (0.55) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL8199794 | 0.84 | TDP1 (0.71) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL8200325 | 0.84 | CYP2A6 (0.68) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL5966248 | 0.84 | GRM5 (0.50) | — | |
| SCHEMBL13098626 | 0.82 | HRH1 (0.72) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL12040598 | 0.82 | HRH1 (0.72) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL3058265 | 0.81 | CHRNB2 (0.59) | CYP2A6CYP1A2CYP2D6 | |
| SCHEMBL8700016 | 0.80 | CYP1A2 (0.66) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL29485675 | 0.78 | TDP1 (0.80) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL29485677 | 0.78 | CYP2A6 (0.76) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0754176-B1 | NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE | VERTEX PHARMA (US) | 2001-12-05 | — | — | EP | claimed |