Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9650334 | 0.83 | GAA (0.37) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9650127 | 0.79 | LMNA (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9650911 | 0.78 | CES2 (0.36) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11602112 | 0.78 | CYP3A4 (0.51) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29281083 | 0.75 | CYP3A4 (0.44) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9650174 | 0.74 | CYP2C19 (0.49) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10952808 | 0.72 | CYP2C19 (0.60) | CYP2C19GABRA1GABRB2OPRM1OPRD1 | |
| SCHEMBL6207216 | 0.71 | GABRA1 (0.41) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6055405 | 0.71 | CYP3A4 (0.50) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9715173 | 0.71 | KRAS (0.30) | — |
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 |