Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.44 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | PAK4 | O96013 | 1/20 | 0.44 |
| ▸ | PRKCG | P05129 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | AKT2 | P31751 | 1/20 | 0.44 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28750811 | 1.00 | RIPK1 (0.49) | RIPK1EPHX2ROCK2ROCK1MAPK13 | |
| SCHEMBL28072058 | 0.85 | ROCK1 (0.47) | RIPK1ROCK2ROCK1MAP4K4PRKCG | |
| SCHEMBL28072056 | 0.85 | ROCK1 (0.47) | RIPK1ROCK2ROCK1MAP4K4PRKCG | |
| SCHEMBL11239095 | 0.83 | NPC1 (0.54) | EPHX2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL23316729 | 0.81 | RIPK1 (0.57) | RIPK1EPHX2ROCK2ROCK1MAPK13 | |
| SCHEMBL31034468 | 0.81 | RIPK1 (0.57) | RIPK1EPHX2ROCK2ROCK1MAPK13 | |
| SCHEMBL14368141 | 0.81 | RIPK1 (0.49) | RIPK1EPHX2ROCK2ROCK1MAPK13 | |
| SCHEMBL5458502 | 0.80 | AOC3 (0.47) | RIPK1RPS6KB1GPR88ALDH1A1TSHR | |
| SCHEMBL27571164 | 0.80 | SMN1; SMN2 (0.41) | MAPK1 | |
| Hydrochloric Acid SCHEMBL5400591 | 0.79 | RIPK1 (0.47) | RIPK1EPHX2ROCK2ROCK1MAPK13 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105854952-A | (S)-1-(2-hydroxyl-1-phenethyl) thiourea modified Mn-Anderson type heteropolyacid catalyst as well as a preparation method and application thereof | 上海应用技术学院 | 2016-08-17 | — | — | CN | disclosed |