Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.38 |
| ▸ | FEN1 | P39748 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22412883 | 0.86 | CA9 (0.38) | ALDH1A1ALOX5APFEN1HPGDCA12 | |
| SCHEMBL17310154 | 0.83 | OPRM1 (0.38) | ALDH1A1CA12CA1CA2CA3 | |
| SCHEMBL2288390 | 0.81 | CA12 (0.51) | ALDH1A1HPGDBRD4CA12CA9 | |
| SCHEMBL651393 | 0.78 | NSD2 (0.41) | ALDH1A1ALOX5APFEN1HPGDCA12 | |
| SCHEMBL19833049 | 0.76 | GAA (0.48) | ALDH1A1GAAHPGDGBA1MEN1 | |
| SCHEMBL14258661 | 0.76 | LPL (0.41) | ALDH1A1CA12CA1CA2CA3 | |
| SCHEMBL6608093 | 0.74 | CA2 (0.44) | CA12CA1CA2CA3CA4 | |
| SCHEMBL31618338 | 0.74 | ELANE (0.41) | CA12CA1CA2CA3CA4 | |
| SCHEMBL31127486 | 0.74 | CA2 (0.44) | CA12CA1CA2CA3CA4 | |
| SCHEMBL15352816 | 0.72 | PKM (0.49) | ALDH1A1ALOX5APFEN1ATMBRD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011090929-A1 | DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2011-07-28 | — | — | WO | disclosed |