Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.56 |
| ▸ | CCR8 | P51685 | 1/20 | 0.56 |
| ▸ | TGFBR1 | P36897 | 12/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | TGFBR2 | P37173 | 3/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL26521060 | 0.84 | CCR1 (0.60) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL1151081 | 0.81 | CCR1 (0.56) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL12968260 | 0.81 | CCR1 (0.56) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL26521057 | 0.80 | CCR1 (0.50) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL3409467 | 0.79 | CCR1 (0.65) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL26521070 | 0.77 | CCR1 (0.50) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL16005733 | 0.75 | CCR1 (0.48) | CCR1CCR8TGFBR1CYP2A6 | |
| SCHEMBL4167622 | 0.74 | CCR1 (0.71) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL196966 | 0.73 | CCR1 (1.00) | CCR1CCR8TGFBR1CYP2A6METAP2 | |
| SCHEMBL30511194 | 0.73 | CCR1 (1.00) | CCR1CCR8TGFBR1CYP2A6METAP2 |
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 1 patent. 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 |