Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 7/20 | 0.45 |
| ▸ | F10 | P00742 | 6/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28769429 | 0.92 | P2RY12 (0.45) | P2RY12F10CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL27718611 | 0.92 | P2RY12 (0.43) | P2RY12F10CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL27698068 | 0.92 | P2RY12 (0.43) | P2RY12F10CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL27698024 | 0.92 | P2RY12 (0.43) | P2RY12F10CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL27718616 | 0.91 | P2RY12 (0.43) | P2RY12F10CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL27718476 | 0.90 | P2RY12 (0.42) | P2RY12F10CYP2D6CYP2C9CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL27698069 | 0.88 | P2RY12 (0.41) | P2RY12F10CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL27698048 | 0.88 | P2RY12 (0.44) | P2RY12F10CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL27698084 | 0.87 | P2RY12 (0.48) | P2RY12F10CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL27698060 | 0.86 | P2RY12 (0.42) | P2RY12F10CYP2D6CYP2C9CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101137643-A | Novel pyridine compounds | ASTRAZENECA AB (SE) | 2008-03-05 | — | — | CN | disclosed |