Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 10/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.44 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.44 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187193 | 0.78 | THRB (0.38) | ALDH1A1GAA | |
| SCHEMBL21187123 | 0.78 | THRB (0.38) | ALDH1A1GAA | |
| SCHEMBL21187127 | 0.78 | THRB (0.38) | ALDH1A1GAA | |
| SCHEMBL21187144 | 0.75 | NPC1 (0.47) | ROCK2ROCK1RPS6KB1MAP4K4CLK2 | |
| SCHEMBL21187136 | 0.74 | SMN1; SMN2 (0.40) | KDM4EMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL21187130 | 0.73 | SMN1; SMN2 (0.39) | MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL4833473 | 0.73 | ROCK2 (0.52) | ROCK2ROCK1CLK2DYRK1APRKD2 | |
| SCHEMBL21187218 | 0.72 | PARP10 (0.40) | ALDH1A1 | |
| SCHEMBL21187137 | 0.68 | HRH3 (0.53) | MEN1KMT2A | |
| SCHEMBL21187155 | 0.67 | KMT2A (0.37) | MEN1ALDH1A1MAPTKMT2A |
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-2019141095-A1 | AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |