Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 14/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CD38 | P28907 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL5798009 | 0.73 | P2RX7 (0.54) | P2RX7MAPK1CYP3A4CD38HDAC8 | |
| SCHEMBL11733277 | 0.69 | P2RX7 (0.53) | P2RX7MAPK1CYP3A4CD38HDAC8 | |
| SCHEMBL625342 | 0.69 | CYP2C9 (0.55) | P2RX7MAPK1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5798013 | 0.68 | P2RX7 (0.49) | P2RX7MAPK1CYP3A4HDAC8CYP1A2 | |
| SCHEMBL31737601 | 0.67 | HDAC8 (0.48) | P2RX7MAPK1CYP3A4CD38HDAC8 | |
| SCHEMBL19697636 | 0.67 | P2RX7 (0.46) | P2RX7MAPK1CYP3A4CD38HDAC8 | |
| SCHEMBL26045761 | 0.67 | P2RX7 (0.40) | P2RX7MAPK1CYP3A4CD38HDAC8 | |
| SCHEMBL5993038 | 0.67 | P2RX7 (0.44) | P2RX7MAPK1CYP3A4CD38HDAC8 | |
| SCHEMBL10061644 | 0.65 | P2RX7 (0.44) | P2RX7CYP3A4CD38HDAC8 | |
| SCHEMBL18688052 | 0.65 | CYP1A2 (0.71) | P2RX7CYP3A4CYP1A2CYP2C9CYP2C19 |
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-2019057112-A1 | 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-03-28 | — | — | WO | disclosed |