Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.43 |
| ▸ | PRKACA | P17612 | 2/20 | 0.43 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.43 |
| ▸ | PRKX | P51817 | 2/20 | 0.43 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.43 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.43 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.43 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1286079 | 0.90 | CYP3A4 (0.54) | CYP17A1CYP3A4ALDH1A1EPHX1TBXAS1 | |
| SCHEMBL933922 | 0.83 | MKNK1 (0.55) | MMP12LRRK2TBXAS1F10PRSS1 | |
| SCHEMBL933472 | 0.83 | PRKCI (0.54) | CYP3A4ALDH1A1LRRK2ROCK2ROCK1 | |
| SCHEMBL26167691 | 0.83 | SRR (0.54) | — | |
| SCHEMBL5027971 | 0.81 | CYP17A1 (0.50) | CYP17A1CYP3A4AAK1MMP12MMP13 | |
| SCHEMBL934557 | 0.77 | EPHX1 (0.39) | EPHX1TBXAS1 | |
| SCHEMBL23643108 | 0.77 | EPHX1 (0.50) | EPHX1F10 | |
| SCHEMBL934530 | 0.77 | TAAR1 (0.59) | EPHX1 | |
| SCHEMBL22593510 | 0.77 | EPHX1 (0.50) | EPHX1MAPK1 | |
| SCHEMBL22937469 | 0.77 | EPHX1 (0.50) | CYP3A4ALDH1A1EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |