Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | BRD2 | P25440 | 1/20 | 0.51 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.50 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.50 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.50 |
| ▸ | CCR1 | P32246 | 1/20 | 0.50 |
| ▸ | CCR8 | P51685 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.48 |
| ▸ | CDK8 | P49336 | 2/20 | 0.48 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.48 |
| ▸ | MST1R | Q04912 | 2/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.48 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.48 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14189314 | 0.86 | KMO (0.55) | CYP2A6CCR1CCR8GRM5SYK | |
| SCHEMBL12269989 | 0.85 | PARP1 (0.53) | CYP2A6CCR1CCR8GRM5KDR | |
| SCHEMBL13680472 | 0.84 | CCR1 (0.52) | CYP2A6BRD4CCR1CCR8GRM5 | |
| SCHEMBL13680584 | 0.82 | GABRG2 (0.53) | CYP2A6CCR1CCR8GRM5CDK8 | |
| SCHEMBL12269983 | 0.82 | KEAP1 (0.50) | CYP2A6CCR1CCR8GRM5FYN | |
| SCHEMBL11990860 | 0.81 | CCR1 (0.68) | CYP2A6CCR1CCR8IRAK4 | |
| SCHEMBL12318239 | 0.81 | NPC1 (0.62) | FYN | |
| SCHEMBL14548908 | 0.80 | KIF11 (0.52) | CYP2A6BRD4DHFRPGR | |
| SCHEMBL2559486 | 0.80 | KDM4E (0.50) | BRD4BRD2CREBBPMAP4K4CLK4 | |
| SCHEMBL27615906 | 0.80 | GRM5 (0.50) | CYP2A6CCR1CCR8GRM5 |
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 |