Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 3/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5321269 | 0.82 | NPC1 (0.50) | ATRCYP1A2CYP2C19KDM4ECYP3A4 | |
| SCHEMBL23064174 | 0.82 | PIK3CG (0.54) | ATRHPGDMAPK1ALDH1A1 | |
| SCHEMBL12198422 | 0.82 | ATR (0.48) | ATRNOS1CYP2C19KDM4EHPGD | |
| SCHEMBL31638393 | 0.81 | ATR (0.51) | ATRNOS1KDM4EL3MBTL1MAPK1 | |
| SCHEMBL934804 | 0.81 | ATR (0.51) | ATRNOS1KDM4EL3MBTL1MAPK1 | |
| SCHEMBL5318316 | 0.79 | ATR (0.48) | ATRNOS1CYP1A2CYP2C19KDM4E | |
| SCHEMBL27983733 | 0.79 | ATR (0.36) | ATRALOX5APFEN1ADORA1ADORA2A | |
| SCHEMBL934180 | 0.78 | ATR (0.51) | ATRNOS1KDM4EHPGDMAPK1 | |
| SCHEMBL20839008 | 0.78 | ALOX5AP (0.39) | ATRCYP3A4HTTALOX5APFEN1 | |
| SCHEMBL29911247 | 0.78 | ALOX5AP (0.39) | ATRCYP3A4HTTALOX5APFEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007096764-A2 | BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS | GLENMARK PHARMACEUTICALS S.A. (US) | 2007-08-30 | — | — | WO | disclosed |