Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 6/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | LATS1 | O95835 | 1/20 | 0.31 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21975722 | 0.83 | ROCK2 (0.44) | TGFBR1CYP3A4CYP2C8CYP1A2ROCK2 | |
| SCHEMBL21974816 | 0.82 | CYP3A4 (0.39) | TGFBR1CYP3A4CYP2C8CYP1A2ROCK2 | |
| SCHEMBL21943658 | 0.76 | PIKFYVE (0.59) | PIKFYVE | |
| SCHEMBL22066368 | 0.76 | TGFBR1 (0.51) | TGFBR1CYP3A4CYP2C8CYP1A2ROCK2 | |
| SCHEMBL21975712 | 0.71 | ALDH1A1 (0.38) | CYP3A4CYP1A2 | |
| SCHEMBL22066383 | 0.71 | TGFBR1 (0.48) | TGFBR1CYP3A4CYP2C8CYP1A2PIKFYVE | |
| SCHEMBL21975713 | 0.69 | PARP10 (0.38) | — | |
| SCHEMBL21975659 | 0.67 | MAPT (0.37) | MAPK1 | |
| SCHEMBL22066063 | 0.66 | PIKFYVE (0.51) | TGFBR1CYP3A4CYP2C8CYP1A2PIKFYVE | |
| SCHEMBL22065349 | 0.66 | PIKFYVE (0.47) | TGFBR1CYP3A4CYP2C8CYP1A2MET |
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 |