Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.56 |
| ▸ | CCR8 | P51685 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 8/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | CDC25A | P30304 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL13680679 | 0.84 | CCR1 (0.60) | CCR1CCR8CYP2A6NOS3NOS2 | |
| SCHEMBL16835922 | 0.81 | CYP2A6 (0.54) | CCR1CCR8CYP2A6NOS3NOS2 | |
| SCHEMBL29457509 | 0.81 | CYP2A6 (0.54) | CCR1CCR8CYP2A6NOS3NOS2 | |
| SCHEMBL13680677 | 0.79 | CCR1 (0.54) | CCR1CCR8CYP2A6NOS3NOS2 | |
| SCHEMBL3421947 | 0.78 | CYP2A6 (0.65) | CCR1CCR8CYP2A6METAP2TGFBR1 | |
| SCHEMBL30146674 | 0.78 | CYP2A6 (0.65) | CCR1CCR8CYP2A6METAP2TGFBR1 | |
| SCHEMBL13680586 | 0.78 | CCR1 (0.52) | CCR1CCR8CYP2A6METAP2TGFBR1 | |
| SCHEMBL13680680 | 0.78 | CYP2A6 (0.54) | CCR1CCR8CYP2A6METAP2TGFBR1 | |
| SCHEMBL13680675 | 0.78 | CCR1 (0.52) | CCR1CCR8CYP2A6METAP2MAP4K4 | |
| SCHEMBL13680674 | 0.78 | CCR1 (0.52) | CCR1CCR8CYP2A6METAP2TGFBR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023072301-A1 | PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF | 正大天晴药业集团股份有限公司 | 2023-05-04 | — | — | WO | disclosed |
| 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 |