Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 6/20 | 0.37 |
| ▸ | RAB9A | P51151 | 6/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680731 | 0.82 | CYP3A4 (0.46) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680528 | 0.81 | ALDH1A1 (0.45) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680733 | 0.81 | CYP2E1 (0.45) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL8198560 | 0.79 | CYP3A4 (0.60) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680732 | 0.78 | RAB9A (0.46) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL7905176 | 0.77 | CYP3A4 (0.58) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13681265 | 0.77 | AOC3 (0.51) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680478 | 0.76 | KDM4E (0.62) | ALDH1A1MAPTPPARANPC1RAB9A | |
| SCHEMBL13680487 | 0.76 | ALDH1A1 (0.49) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13681038 | 0.74 | MAPT (0.41) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 |
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-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |