Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.37 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680747 | 0.85 | CYP2C9 (0.42) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13681291 | 0.82 | CYP2E1 (0.39) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680489 | 0.78 | SMN1; SMN2 (0.47) | NPC1RAB9AKDM4EGAAMAPT | |
| SCHEMBL13681058 | 0.77 | MAPT (0.37) | KDM4EGAAMAPTALDH1A1HPGD | |
| SCHEMBL13680746 | 0.77 | CYP3A4 (0.47) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680742 | 0.74 | CYP2E1 (0.45) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680615 | 0.73 | CYP2E1 (0.47) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680540 | 0.73 | DYRK1A (0.52) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680744 | 0.72 | CYP3A4 (0.53) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL8241210 | 0.72 | HPGD (0.46) | CYP3A4RAB9AKDM4EMAPTALDH1A1 |
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 |