Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TKT | P29401 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | SLC12A5 | Q9H2X9 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680748 | 0.85 | CYP2E1 (0.40) | CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6 | |
| SCHEMBL13681291 | 0.84 | CYP2E1 (0.39) | CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6 | |
| SCHEMBL13680742 | 0.80 | CYP2E1 (0.45) | CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6 | |
| SCHEMBL13680746 | 0.79 | CYP3A4 (0.47) | CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6 | |
| SCHEMBL13680522 | 0.77 | RAB9A (0.55) | NPC1RAB9AKDM4EGAAMAPT | |
| SCHEMBL13681047 | 0.76 | ADRB2 (0.40) | RAB9AKDM4ETKTSREBF2 | |
| SCHEMBL13680744 | 0.75 | CYP3A4 (0.53) | CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6 | |
| SCHEMBL30585336 | 0.72 | TGFBR1 (0.45) | TGFBR1NPC1RAB9AKDM4EGAA | |
| SCHEMBL13680738 | 0.72 | CYP3A4 (0.50) | CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6 | |
| SCHEMBL13304496 | 0.70 | ADORA3 (0.46) | CYP2C9RAB9AKDM4EMAPTPIK3C3 |
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 2 patents. 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 |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |