Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | MET | P08581 | 5/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.36 |
| ▸ | GRK2 | P25098 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | RHEB | Q15382 | 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 | |
|---|---|---|---|---|
| SCHEMBL21975722 | 0.82 | ROCK2 (0.44) | CYP3A4ROCK2TGFBR1CYP2C8CYP1A2 | |
| SCHEMBL21974822 | 0.82 | TGFBR1 (0.38) | CYP3A4ROCK2TGFBR1CYP2C8CYP1A2 | |
| SCHEMBL21943068 | 0.76 | PIKFYVE (0.54) | BRAFKDRMAPK14TNNI3KMAPT | |
| SCHEMBL21943439 | 0.76 | PIKFYVE (0.56) | BRAFKDRMAPK14TNNI3KMAPT | |
| SCHEMBL22066368 | 0.71 | TGFBR1 (0.51) | CYP3A4ROCK2TGFBR1CYP2C8CYP1A2 | |
| SCHEMBL21943684 | 0.70 | KDR (0.51) | METBRAFKDRMAPK14TNNI3K | |
| SCHEMBL21974781 | 0.67 | MAPT (0.40) | ROCK2GRK2MAPTBTKEGFR | |
| SCHEMBL11194081 | 0.66 | CNR1 (0.50) | KDRMAPT | |
| SCHEMBL21975014 | 0.65 | MEN1 (0.39) | CYP3A4CYP1A2MAPTBTKEGFR | |
| SCHEMBL6411329 | 0.64 | ALDH1A1 (0.57) | MAPT |
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 |