Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 3/20 | 0.45 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.45 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.45 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.45 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28152086 | 0.86 | DHFR (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9ADORA2A | |
| SCHEMBL16701358 | 0.83 | HEXA (0.43) | RAF1MAPK13MAPK9MAPK12MAPK11 | |
| SCHEMBL28152025 | 0.78 | HRH3 (0.53) | CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL28267193 | 0.75 | HRH3 (0.53) | CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL16701338 | 0.75 | HEXA (0.46) | ADORA2AADORA1 | |
| SCHEMBL24117519 | 0.73 | CYP2C19 (0.43) | RAF1MAPK13MAPK9MAPK12MAPK11 | |
| SCHEMBL24117551 | 0.73 | CYP2C19 (0.43) | RAF1MAPK13MAPK9MAPK12MAPK11 | |
| SCHEMBL24117529 | 0.73 | CYP2C19 (0.43) | RAF1MAPK13MAPK9MAPK12MAPK11 | |
| SCHEMBL24117520 | 0.73 | CYP2C19 (0.43) | RAF1MAPK13MAPK9MAPK12MAPK11 | |
| SCHEMBL28151079 | 0.72 | ADORA1 (0.52) | CYP2D6ADORA2AADORA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015069752-A9 | ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-07-09 | — | — | WO | disclosed |
| WO-2015069752-A1 | ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-05-14 | — | — | WO | disclosed |