Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.65 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.65 |
| ▸ | CCR2 | P41597 | 1/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | BCHE | P06276 | 3/20 | 0.57 |
| ▸ | MAOB | P27338 | 2/20 | 0.57 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | AKT1 | P31749 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10607825 | 0.91 | HRH3 (0.62) | ROCK1ROCK2CCR2CYP1A2CYP3A4 | |
| SCHEMBL11729293 | 0.90 | ROCK1 (0.61) | ROCK1ROCK2CCR2KCNH2CYP1A2 | |
| SCHEMBL13463050 | 0.89 | ROCK1 (0.60) | ROCK1ROCK2CCR2KCNH2CYP1A2 | |
| SCHEMBL13462906 | 0.87 | ROCK1 (0.61) | ROCK1ROCK2CCR2KCNH2CYP1A2 | |
| SCHEMBL13439703 | 0.87 | ROCK1 (0.58) | ROCK1ROCK2CCR2KCNH2CYP1A2 | |
| SCHEMBL13439705 | 0.87 | ROCK1 (0.58) | ROCK1ROCK2CCR2KCNH2CYP1A2 | |
| SCHEMBL13495630 | 0.87 | ROCK1 (0.55) | ROCK1ROCK2CCR2KCNH2CYP1A2 | |
| SCHEMBL13462820 | 0.87 | ROCK1 (0.61) | ROCK1ROCK2CCR2KCNH2CYP1A2 | |
| SCHEMBL13450957 | 0.87 | ROCK1 (0.61) | ROCK1ROCK2CCR2KCNH2CYP1A2 | |
| SCHEMBL13450804 | 0.87 | ROCK1 (0.61) | ROCK1ROCK2CCR2KCNH2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5190958-A | Fungicides | SHELL RESEARCH LIMITED (GB) | 1993-03-02 | — | — | US | disclosed |
| EP-0435387-A1 | Piperidine derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-07-03 | — | — | EP | disclosed |