Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 14/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.50 |
| ▸ | PRKACA | P17612 | 2/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.48 |
| ▸ | CIT | O14578 | 1/20 | 0.45 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.45 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.45 |
| ▸ | PRKCG | P05129 | 1/20 | 0.45 |
| ▸ | PRKCB | P05771 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15834340 | 0.87 | ROCK1 (0.54) | ROCK1ALDH1A1SMN1; SMN2CYP3A4PRKACA | |
| SCHEMBL2767758 | 0.83 | ALDH1A1 (0.55) | ROCK1ALDH1A1SMN1; SMN2CYP3A4PRKACA | |
| SCHEMBL15831227 | 0.83 | ROCK1 (0.54) | ROCK1ALDH1A1SMN1; SMN2CYP3A4PRKACA | |
| SCHEMBL13513281 | 0.82 | ALDH1A1 (0.54) | ROCK1ALDH1A1SMN1; SMN2CYP3A4PRKACA | |
| Hydrochloric Acid SCHEMBL27533178 | 0.81 | ALDH1A1 (0.53) | ROCK1ALDH1A1SMN1; SMN2CYP3A4PRKACA | |
| SCHEMBL2767849 | 0.81 | POLB (0.57) | ROCK1ALDH1A1SMN1; SMN2CYP3A4PRKACA | |
| SCHEMBL18722496 | 0.80 | ROCK1 (0.51) | ROCK1ALDH1A1SMN1; SMN2CYP3A4PRKACA | |
| SCHEMBL398666 | 0.78 | ALDH1A1 (0.50) | ROCK1ALDH1A1SMN1; SMN2CYP3A4PRKACA | |
| SCHEMBL3560306 | 0.78 | IKBKB (0.58) | ALDH1A1SMN1; SMN2POLBNR3C1 | |
| SCHEMBL12440452 | 0.77 | POLB (0.50) | ROCK1ALDH1A1SMN1; SMN2CYP3A4PRKACA |
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 |
|---|---|---|---|---|---|---|---|
| US-9616064-B2 | Rho kinase inhibitors and methods of use | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2017-04-11 | — | — | US | disclosed |