Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | CCR8 | P51685 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | TGFBR1 | P36897 | 13/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | STK4 | Q13043 | 1/20 | 0.38 |
| ▸ | STK3 | Q13188 | 1/20 | 0.38 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.38 |
| ▸ | STK26 | Q9P289 | 1/20 | 0.38 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680695 | 0.78 | ADORA2A (0.55) | CYP2A6CCR1CCR8ADORA2AADORA1 | |
| SCHEMBL6409848 | 0.78 | BRD4 (0.50) | CYP2A6CCR1CCR8ADORA2AADORA1 | |
| SCHEMBL30146674 | 0.74 | CYP2A6 (0.65) | CYP2A6CCR1CCR8TGFBR1METAP2 | |
| SCHEMBL3421947 | 0.74 | CYP2A6 (0.65) | CYP2A6CCR1CCR8TGFBR1METAP2 | |
| SCHEMBL30625193 | 0.73 | CCR1 (0.52) | CYP2A6CCR1CCR8TGFBR1MAPK14 | |
| SCHEMBL12269967 | 0.73 | CCR1 (0.52) | CYP2A6CCR1CCR8TGFBR1MAPK14 | |
| SCHEMBL24289859 | 0.72 | CCR1 (0.50) | CYP2A6CCR1CCR8ADORA2AADORA1 | |
| SCHEMBL13680679 | 0.72 | CCR1 (0.60) | CYP2A6CCR1CCR8TGFBR1METAP2 | |
| SCHEMBL13051887 | 0.71 | CCR1 (0.59) | CYP2A6CCR1CCR8TGFBR1METAP2 | |
| SCHEMBL1743453 | 0.70 | CYP2A6 (0.54) | CYP2A6CCR1CCR8TGFBR1METAP2 |
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 |