Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.94 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.94 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.94 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.94 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | TBXAS1 | P24557 | 16/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL12330327 | 0.97 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL13252966 | 0.97 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL3264611 | 0.97 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10569726 | 0.96 | CYP1A2 (0.98) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL12675684 | 0.93 | CYP1A2 (0.89) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10465091 | 0.93 | CYP1A2 (0.89) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL9717890 | 0.88 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10567106 | 0.87 | CYP1A2 (0.82) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL9717936 | 0.87 | CYP1A2 (0.72) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10567866 | 0.86 | CYP1A2 (0.79) | 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 3 patents. 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 | claimed |
| US-5126368-A | Pulmonary and vascular disorders | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-06-30 | — | — | US | disclosed |
| US-5126368-A | Pulmonary and vascular disorders | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-06-30 | — | — | US | disclosed |