Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.37 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.37 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.32 |
| ▸ | AOC1 | P19801 | 2/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 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 | |
|---|---|---|---|---|
| SCHEMBL21598449 | 0.79 | CA12 (0.37) | CYP2A6NOS3NOS2HTR1AADRA1D | |
| SCHEMBL30147759 | 0.79 | CA12 (0.37) | CYP2A6NOS3NOS2HTR1AADRA1D | |
| SCHEMBL17547276 | 0.77 | METAP2 (0.37) | ROCK2ROCK1CDC42BPACDC42BPBSLC40A1 | |
| SCHEMBL21092874 | 0.77 | ROCK2 (0.35) | ROCK2ROCK1CDC42BPACDC42BPBSLC40A1 | |
| SCHEMBL23999693 | 0.77 | NOS2 (0.56) | ROCK2ROCK1CDC42BPACDC42BPBSLC40A1 | |
| SCHEMBL10883659 | 0.77 | ROCK2 (0.35) | ROCK2ROCK1CDC42BPACDC42BPBSLC40A1 | |
| SCHEMBL27578120 | 0.74 | CYP2A6 (0.31) | ROCK1CYP2A6PDE3BPDE3A | |
| SCHEMBL4272874 | 0.74 | ESR2 (0.34) | CYP2A6CCR1CCR5CCR8PDE3B | |
| SCHEMBL17667913 | 0.74 | PDE3B (0.35) | ROCK2ROCK1CDC42BPACDC42BPBNOS3 | |
| SCHEMBL8801086 | 0.73 | PIK3C3 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7595413-B2 | Phosphine-substituted vinyl containing metallocene catalyst, preparation process and the application of the same | PETROCHINA COMPANY LIMITED (CN) | 2009-09-29 | — | — | US | claimed |
| WO-2021226517-A1 | AKT3 MODULATORS | GEORGIAMUNE LLC (US) | 2021-11-11 | — | — | WO | disclosed |
| EP-1958969-A1 | A phosphine-substituted vinyl containing metallocene catalyst, preparation process and the application of the same | Petrochina Company Limited (CN) | 2008-08-20 | — | — | EP | disclosed |