Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CCR1 | P32246 | 1/20 | 0.48 |
| ▸ | CCR8 | P51685 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 8/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680676 | 0.80 | CYP2A6 (0.47) | CYP2A6CCR1CCR8GRM5RAB9A | |
| SCHEMBL13680679 | 0.78 | CCR1 (0.60) | CYP2A6CCR1CCR8GRM5RAB9A | |
| SCHEMBL30146674 | 0.77 | CYP2A6 (0.65) | CYP2A6CCR1CCR8GRM5RAB9A | |
| SCHEMBL3421947 | 0.77 | CYP2A6 (0.65) | CYP2A6CCR1CCR8GRM5RAB9A | |
| SCHEMBL13680472 | 0.76 | CCR1 (0.52) | CYP2A6CCR1CCR8GRM5RAB9A | |
| SCHEMBL13680673 | 0.75 | CCR1 (0.56) | CYP2A6CCR1CCR8GRM5TGFBR1 | |
| SCHEMBL13680552 | 0.75 | CYP2A6 (0.53) | CYP2A6CCR1CCR8GRM5IRAK4 | |
| SCHEMBL13680686 | 0.74 | CYP2A6 (0.45) | CYP2A6CCR1CCR8GRM5RAB9A | |
| SCHEMBL13051887 | 0.74 | CCR1 (0.59) | CYP2A6CCR1CCR8GRM5TGFBR1 | |
| SCHEMBL13680677 | 0.74 | CCR1 (0.54) | CYP2A6CCR1CCR8GRM5TGFBR1 |
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 |