Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | CCR1 | P32246 | 1/20 | 0.52 |
| ▸ | CCR8 | P51685 | 1/20 | 0.52 |
| ▸ | TGFBR1 | P36897 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3421947 | 0.83 | CYP2A6 (0.65) | CYP2A6CCR1CCR8TGFBR1GRM5 | |
| SCHEMBL30146674 | 0.83 | CYP2A6 (0.65) | CYP2A6CCR1CCR8TGFBR1GRM5 | |
| SCHEMBL13051887 | 0.80 | CCR1 (0.59) | CYP2A6CCR1CCR8TGFBR1CYP3A4 | |
| SCHEMBL20390897 | 0.79 | ASIC3 (0.53) | CYP2A6MAPTCYP3A4CYP2B6CYP2C19 | |
| SCHEMBL24673834 | 0.79 | CYP2A6 (0.54) | CYP2A6CCR1CCR8TGFBR1GRM5 | |
| SCHEMBL1743453 | 0.79 | CYP2A6 (0.54) | CYP2A6CCR1CCR8TGFBR1GRM5 | |
| SCHEMBL13745864 | 0.79 | MAPT (0.48) | CYP2A6MAPTCCR1CCR8TGFBR1 | |
| SCHEMBL16835922 | 0.79 | CYP2A6 (0.54) | CYP2A6CCR1CCR8TGFBR1GRM5 | |
| SCHEMBL29457509 | 0.79 | CYP2A6 (0.54) | CYP2A6CCR1CCR8TGFBR1GRM5 | |
| SCHEMBL9007600 | 0.78 | MAPT (0.43) | CYP2A6MAPTCYP3A4CYP2B6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |