Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.48 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 3/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21217772 | 0.88 | TNIK (0.61) | SMOTNIKKDRROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL21198146 | 0.87 | TNIK (0.60) | SMOTNIKKDRROCK2ROCK1 | |
| SCHEMBL24094169 | 0.85 | NPC1 (0.55) | SMOTNIKKDRROCK2ROCK1 | |
| SCHEMBL22966881 | 0.84 | ROCK2 (0.46) | SMOROCK2ROCK1 | |
| SCHEMBL22966729 | 0.82 | TNIK (0.44) | SMOTNIKKDRROCK2ROCK1 | |
| SCHEMBL22966916 | 0.82 | TNIK (0.59) | TNIKKDRROCK2ROCK1NPC1 | |
| SCHEMBL24610341 | 0.82 | TNIK (0.45) | SMOTNIKKDRROCK2ROCK1 | |
| SCHEMBL21217620 | 0.81 | TNIK (0.53) | TNIKKDRROCK2ROCK1NPC1 | |
| SCHEMBL21217532 | 0.81 | TNIK (0.44) | SMOTNIKKDRROCK2ROCK1 | |
| SCHEMBL24094106 | 0.81 | ROCK2 (0.47) | TNIKKDRROCK2ROCK1GSK3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3743420-B1 | HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE | REDX PHARMA PLC (GB) | 2021-12-15 | — | — | EP | disclosed |