Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLI1 | P08151 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TKT | P29401 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHKA | P35790 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | CHUK | O15111 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7398048 | 0.82 | CHRM5 (0.37) | POLBALDH1A1GLI1CYP3A4CYP2D6 | |
| SCHEMBL5495135 | 0.81 | — | — | |
| SCHEMBL31415245 | 0.76 | SLC6A2 (0.41) | ALDH1A1GLI1CYP3A4CYP2D6HTR6 | |
| SCHEMBL10843139 | 0.76 | SLC6A2 (0.41) | ALDH1A1GLI1CYP3A4CYP2D6HTR6 | |
| SCHEMBL27267486 | 0.75 | HTR6 (0.38) | ALDH1A1GLI1CYP3A4CYP2D6HTR6 | |
| SCHEMBL22551888 | 0.74 | AOC3 (0.48) | CYP2D6CHRM5CHKACHRNB2CHRNA4 | |
| SCHEMBL8676051 | 0.74 | GAA (0.39) | POLBALDH1A1GLI1CYP3A4CYP2D6 | |
| SCHEMBL18541478 | 0.73 | CHRNB2 (0.41) | ALDH1A1GLI1CYP3A4CYP2D6HTR6 | |
| SCHEMBL20749330 | 0.73 | CYP11B1 (0.37) | ALDH1A1CYP3A4 | |
| SCHEMBL7403498 | 0.72 | CYP4F2 (0.43) | L3MBTL1 |
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-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |
| US-5563141-A | INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION | ZENECA LIMITED (GB) | 1996-10-08 | — | — | US | disclosed |
| EP-0690847-A1 | HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1996-01-10 | — | — | EP | disclosed |
| WO-1994022835-A2 | HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1994-10-13 | — | — | WO | disclosed |