Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 18/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.70 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.70 |
| ▸ | DRD3 | P35462 | 1/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4115190 | 0.89 | P2RY12 (0.70) | P2RY12CYP2C9CYP3A4CHRM2DRD3 | |
| SCHEMBL4880996 | 0.88 | P2RY12 (0.77) | P2RY12CYP2C9CYP3A4CHRM2DRD3 | |
| SCHEMBL29258844 | 0.85 | P2RY12 (0.65) | P2RY12CYP2C9CYP3A4CHRM2DRD3 | |
| SCHEMBL30999839 | 0.85 | P2RY12 (0.65) | P2RY12CYP2C9CYP3A4CHRM2DRD3 | |
| Hydrochloric Acid SCHEMBL4105657 | 0.85 | P2RY12 (0.62) | P2RY12CYP2C9CYP3A4CHRM2DRD3 | |
| SCHEMBL3208916 | 0.84 | P2RY12 (0.62) | P2RY12CYP2C9CYP3A4CHRM2DRD3 | |
| SCHEMBL4097854 | 0.84 | P2RY12 (1.00) | P2RY12CYP2C9CYP3A4CHRM2DRD3 | |
| SCHEMBL4103594 | 0.84 | P2RY12 (0.88) | P2RY12CYP2C9CYP3A4CHRM2DRD3 | |
| SCHEMBL4874126 | 0.84 | P2RY12 (0.85) | P2RY12CYP2C9CYP3A4CHRM2DRD3 | |
| SCHEMBL4877635 | 0.83 | P2RY12 (0.92) | P2RY12CYP2C9CYP3A4CHRM2DRD3 |
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-2020119590-A1 | 3-CYANOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USES THEREOF. | 中国科学院上海药物研究所 | 2020-06-18 | — | — | WO | disclosed |