Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 3/20 | 0.75 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | PRKACA | P17612 | 1/20 | 0.70 |
| ▸ | GSK3A | P49840 | 1/20 | 0.70 |
| ▸ | GSK3B | P49841 | 1/20 | 0.70 |
| ▸ | PRKX | P51817 | 1/20 | 0.70 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.70 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.70 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.70 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | AURKA | O14965 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL8716430 | 0.88 | MMP13 (0.73) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3816981 | 0.88 | MMP13 (0.77) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13940425 | 0.88 | MMP13 (0.90) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7134254 | 0.87 | MMP13 (0.86) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31396722 | 0.86 | MMP13 (0.75) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3816878 | 0.86 | HPGD (0.79) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9416645 | 0.86 | MMP13 (0.94) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31061610 | 0.86 | MMP13 (1.00) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5332068 | 0.86 | MMP13 (1.00) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17694837 | 0.85 | EPHX2 (0.62) | MMP13ROCK2ROCK1HPGDLMNA |
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-5728835-A | HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS | TOA EIYO, LTD. (JP) | 1998-03-17 | — | — | US | disclosed |
| EP-0661266-A1 | Substituted cyclic amine compounds as 5HT2 antagonists | TOA EIYO LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |