Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.39 |
| ▸ | MET | P08581 | 10/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21974822 | 0.83 | TGFBR1 (0.38) | ROCK2CYP3A4TGFBR1CYP2C8MET | |
| SCHEMBL21974816 | 0.82 | CYP3A4 (0.39) | ROCK2CYP3A4TGFBR1CYP2C8MET | |
| SCHEMBL22066368 | 0.80 | TGFBR1 (0.51) | ROCK2CYP3A4TGFBR1CYP2C8CYP1A2 | |
| SCHEMBL21943518 | 0.76 | PIKFYVE (0.64) | MAPK14PIKFYVE | |
| SCHEMBL21943533 | 0.72 | KDR (0.58) | MAPK14PIKFYVE | |
| SCHEMBL22066063 | 0.71 | PIKFYVE (0.51) | CYP3A4TGFBR1CYP2C8CYP1A2PIKFYVE | |
| SCHEMBL22065349 | 0.71 | PIKFYVE (0.47) | CYP3A4TGFBR1CYP2C8METCYP1A2 | |
| SCHEMBL21975016 | 0.71 | MEN1 (0.41) | ROCK2CYP3A4 | |
| SCHEMBL14704593 | 0.68 | ADORA2A (0.38) | ROCK2MAPK14 | |
| SCHEMBL22066383 | 0.67 | TGFBR1 (0.48) | CYP3A4TGFBR1CYP2C8CYP1A2MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3647313-A1 | SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Xiamen University (CN) | 2020-05-06 | — | — | EP | disclosed |