Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8905685 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GAAELOVL1HSP90AA1MAPT | |
| SCHEMBL13224056 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GAAELOVL1HSP90AA1MAPT | |
| SCHEMBL20849994 | 0.85 | ATM (0.43) | ALDH1A1GAAELOVL1HSP90AA1MAPT | |
| SCHEMBL19578343 | 0.85 | ALDH1A1 (0.44) | ALDH1A1GAAELOVL1AOC3KDM4E | |
| SCHEMBL20849754 | 0.84 | MTOR (0.41) | ALDH1A1GAAHSP90AA1MAPTGPR55 | |
| SCHEMBL8910235 | 0.82 | OPRM1 (0.43) | ALDH1A1GAAHSP90AA1MAPTGPR55 | |
| SCHEMBL8908400 | 0.81 | ALDH1A1 (0.44) | ALDH1A1GAAAOC3CYP3A4 | |
| SCHEMBL8907267 | 0.81 | CYP2C19 (0.36) | ALDH1A1GAAELOVL1KDM4ECYP3A4 | |
| SCHEMBL10120515 | 0.81 | ACP3 (0.41) | ALDH1A1GAAMAPTAOC3MEN1 | |
| SCHEMBL14664133 | 0.81 | ALDH1A1 (0.51) | ALDH1A1GAAELOVL1HSP90AA1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-9758487-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-12 | — | — | US | disclosed |