Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL15233144 | 0.87 | — | — | |
| SCHEMBL1132719 | 0.78 | — | — | |
| SCHEMBL8235993 | 0.75 | HRH3 (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19ADORA3 | |
| SCHEMBL31287983 | 0.71 | HCAR2 (0.41) | CYP3A4ADORA3ADORA2AHCAR2 | |
| Hydrochloric Acid SCHEMBL31473257 | 0.70 | AKT2 (0.39) | CYP3A4CYP2D6CYP2C9CYP2C19P2RX7 | |
| SCHEMBL17591101 | 0.69 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C9CYP2C19ADORA3 | |
| SCHEMBL10674805 | 0.68 | GAA (0.37) | CYP2D6CYP2C9 | |
| SCHEMBL16882334 | 0.68 | CBLB (0.33) | CYP3A4CYP2D6CYP2C9CYP2C19P2RX7 | |
| SCHEMBL22968647 | 0.67 | P2RX7 (0.33) | P2RX7 | |
| SCHEMBL971909 | 0.66 | ALDH1A1 (0.46) | CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2870150-B1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS | 3 V BIOSCIENCES INC (US) | 2019-06-19 | — | — | EP | disclosed |
| WO-2011036885-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2011-03-31 | — | — | WO | disclosed |