Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 19/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4109942 | 0.95 | P2RY12 (0.81) | P2RY12CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL29258649 | 0.93 | P2RY12 (0.81) | P2RY12CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL29258436 | 0.90 | P2RY12 (0.91) | P2RY12CYP3A4CYP2C9CHRM2DRD3 | |
| SCHEMBL4099779 | 0.89 | P2RY12 (0.82) | P2RY12CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL29258452 | 0.88 | P2RY12 (0.80) | P2RY12CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL29258457 | 0.87 | P2RY12 (0.79) | P2RY12CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL5315088 | 0.86 | P2RY12 (0.69) | P2RY12CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL4098046 | 0.85 | P2RY12 (1.00) | P2RY12CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL29258845 | 0.84 | P2RY12 (0.73) | P2RY12CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL4097423 | 0.83 | P2RY12 (1.00) | P2RY12CYP3A4CYP2C9 |
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-118344351-A | Preparation method and application of PET imaging agent targeting neuroinflammatory purinergic P2Y12 receptor | 复旦大学 | 2024-07-16 | — | — | CN | disclosed |