Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.60 |
| ▸ | TBXAS1 | P24557 | 17/20 | 0.53 |
| ▸ | PTGIS | Q16647 | 10/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9650184 | 0.97 | CYP1A2 (0.78) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10466750 | 0.92 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL9717801 | 0.88 | CYP1A2 (0.94) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL3264611 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL13252966 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL12330327 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL9717936 | 0.85 | CYP1A2 (0.72) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10569726 | 0.84 | CYP1A2 (0.98) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL9717913 | 0.81 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL9650298 | 0.81 | TBXA2R (0.69) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R |
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 |
|---|---|---|---|---|---|---|---|
| US-5126368-A | Pulmonary and vascular disorders | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-06-30 | — | — | US | disclosed |