Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 5/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4674486 | 1.00 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2D6CYP2C19USP2 | |
| SCHEMBL4682266 | 0.83 | DRD2 (0.43) | ALDH1A1USP2KMT2AMAPK1KDM4E | |
| SCHEMBL4682269 | 0.83 | DRD2 (0.43) | ALDH1A1USP2KMT2AMAPK1KDM4E | |
| SCHEMBL4674480 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2D6CYP2C19USP2 | |
| SCHEMBL4674483 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2D6CYP2C19USP2 | |
| SCHEMBL4678005 | 0.80 | FPR2 (0.43) | CYP2D6CYP2C19MEN1KMT2AMAPT | |
| SCHEMBL4678008 | 0.80 | FPR2 (0.43) | CYP2D6CYP2C19MEN1KMT2AMAPT | |
| SCHEMBL4677814 | 0.79 | OPRM1 (0.50) | ALDH1A1CYP2D6CHRM4NPSR1KDM4E | |
| SCHEMBL4677810 | 0.79 | OPRM1 (0.50) | ALDH1A1CYP2D6CHRM4NPSR1KDM4E | |
| SCHEMBL4675602 | 0.79 | CYP3A4 (0.41) | CYP3A4TNKSPARP1PARP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1997805-A1 | Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans | Commissariat à l'Energie Atomique (FR) | 2008-12-03 | — | — | EP | disclosed |