Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9650911 | 0.82 | CES2 (0.36) | CES2CES1CYP2C19 | |
| SCHEMBL9715173 | 0.77 | KRAS (0.30) | — | |
| SCHEMBL20645990 | 0.77 | CES2 (0.40) | CES2CES1CYP2C19 | |
| SCHEMBL20640975 | 0.77 | CES2 (0.40) | CES2CES1CYP2C19 | |
| SCHEMBL9650174 | 0.74 | CYP2C19 (0.49) | CYP2C19 | |
| SCHEMBL9650334 | 0.70 | GAA (0.37) | CYP2C19 | |
| SCHEMBL9650292 | 0.69 | SMN1; SMN2 (0.39) | CES2CES1CYP2C19 | |
| SCHEMBL9162949 | 0.68 | SMN1; SMN2 (0.33) | CYP2C19 | |
| SCHEMBL28910421 | 0.68 | CES2 (0.45) | CES2CES1 | |
| SCHEMBL9036631 | 0.67 | SMN1; SMN2 (0.44) | CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5166377-A | Thromboxane A2 antagonist as coagulants or vasoconstrictors | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-11-24 | — | — | US | disclosed |
| US-4745198-A | CARDIOVASCULAR DISORDERS, BRONCHODILATOR AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-05-17 | — | — | US | disclosed |
| EP-0094239-B1 | 1,3-DIOXAN-5-YLALKENOIC ACIDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-07-15 | — | — | EP | disclosed |
| US-4567197-A | THORMBOXANE A2 ANTAGONISTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-01-28 | — | — | US | disclosed |
| EP-0094239-A2 | 1,3-Dioxan-5-ylalkenoic acids | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-11-16 | — | — | EP | disclosed |