Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ACP3 | P15309 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL9647516 | 0.83 | CYP3A4 (0.39) | SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3 | |
| SCHEMBL9650127 | 0.83 | LMNA (0.43) | GAAKDM4ECYP1A2SLC6A2SLC6A4 | |
| SCHEMBL9650911 | 0.82 | CES2 (0.36) | SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3 | |
| SCHEMBL3246301 | 0.79 | GAA (0.41) | GAAESR1KDM4ECYP1A2SLC6A2 | |
| SCHEMBL15184714 | 0.79 | GAA (0.41) | GAAESR1KDM4ECYP1A2SLC6A2 | |
| SCHEMBL9650174 | 0.77 | CYP2C19 (0.49) | KDM4ESLC6A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL9715173 | 0.74 | KRAS (0.30) | — | |
| SCHEMBL4637099 | 0.73 | ESR1 (0.42) | GAAESR1SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL13993318 | 0.73 | ESR1 (0.59) | GAAESR1KDM4ECYP1A2SLC6A2 | |
| SCHEMBL8995483 | 0.72 | ESR1 (0.41) | GAAESR1SLC6A2SLC6A4CYP3A4 |
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 |