Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.31 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL15983858 | 0.86 | SLC6A4 (0.44) | ROCK2HTR2ASLC6A4KCNH2 | |
| SCHEMBL18685142 | 0.85 | ROCK2 (0.43) | ROCK2METAP2METAP1IDO1CYP1A2 | |
| SCHEMBL18685140 | 0.80 | ROCK2 (0.39) | ROCK2METAP2METAP1IDO1CYP1A2 | |
| SCHEMBL18500548 | 0.69 | IDO1 (0.54) | IDO1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8258989 | 0.63 | HPGD (0.50) | IDO1CYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL13219436 | 0.63 | MEN1 (0.61) | IDO1CYP3A4CYP2C9CYP2C19MEN1 | |
| Ammonia Solution, Strong SCHEMBL7245398 | 0.62 | HPGD (0.49) | IDO1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL29296736 | 0.60 | BACE1 (0.43) | POLBSLC6A4GAAHPGDLMNA | |
| SCHEMBL23545724 | 0.59 | HTT (0.57) | IDO1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28167406 | 0.59 | RAB9A (0.42) | IDO1CYP1A2CYP3A4CYP2C9CYP2C19 |
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-2961745-B1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-29 | — | — | EP | disclosed |