Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.36 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | LTK | P29376 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | PRKX | P51817 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.36 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.36 |
| ▸ | STK3 | Q13188 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9901561 | 0.86 | GRIN2D (0.42) | TP53CYP2D6TSHRLMNATDP1 | |
| SCHEMBL9902660 | 0.76 | TBXA2R (0.43) | TP53LMNAALDH1A1NAMPTCYP1A2 | |
| SCHEMBL9903246 | 0.74 | KDM4E (0.44) | ROCK2ROCK1PKN2TP53CYP3A4 | |
| SCHEMBL9902597 | 0.72 | GRIN2D (0.47) | TP53HTTCYP2D6TSHRLMNA | |
| SCHEMBL9902996 | 0.69 | MEN1 (0.46) | HTTTSHRLMNAALDH1A1GRIN2D | |
| SCHEMBL9902968 | 0.68 | EPHX1 (0.41) | ROCK2ROCK1TSHRTDP1EPHX1 | |
| SCHEMBL9901790 | 0.67 | GAA (0.40) | ROCK2ROCK1PKN2TP53CYP3A4 | |
| SCHEMBL9901465 | 0.65 | MEN1 (0.43) | HTTCDK1CDK2TSHRLMNA | |
| SCHEMBL9903173 | 0.64 | EPHX1 (0.47) | ROCK2ROCK1PKN2RPS6KA5LRRK2 | |
| SCHEMBL160935 | 0.61 | MDM2 (0.44) | CYP3A4NFKB1LMNAALOX15MDM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2649048-A1 | MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF | Radikal Therapeutics Inc. (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012077108-A1 | MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF | RADIKAL THERAPEUTICS INC. (US) | 2012-06-14 | — | — | WO | disclosed |