Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGPAT2 | O15120 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 3/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PAK4 | O96013 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL24094235 | 0.89 | NPC1 (0.44) | AGPAT2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL24610278 | 0.89 | RET (0.48) | NPC1RAB9AMEN1KMT2AL3MBTL1 | |
| SCHEMBL24094280 | 0.86 | RET (0.42) | AGPAT2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL22966914 | 0.85 | ROCK1 (0.52) | NPC1ROCK1CLK2DYRK1ACLK4 | |
| SCHEMBL24610310 | 0.85 | ROCK2 (0.39) | KDRDHODHROCK1DAPK3PRKD3 | |
| SCHEMBL24968634 | 0.85 | RET (0.36) | NPC1CACNA2D1KDRDHODHRET | |
| SCHEMBL24094169 | 0.85 | NPC1 (0.55) | NPC1RAB9AMEN1KMT2AL3MBTL1 | |
| SCHEMBL24094310 | 0.83 | NPC1 (0.44) | NPC1RAB9AMEN1KMT2AL3MBTL1 | |
| SCHEMBL21217772 | 0.77 | TNIK (0.61) | NPC1RAB9AKDRRETROCK1 | |
| SCHEMBL24094106 | 0.77 | ROCK2 (0.47) | MEN1KMT2AKDRRETROCK1 |
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-4026834-A1 | HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE | Redx Pharma Plc (GB) | 2022-07-13 | — | — | EP | disclosed |