Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.42 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 3/20 | 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 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | WEE1 | P30291 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24094119 | 0.89 | NPC1 (0.48) | CACNA2D1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL24094140 | 0.89 | NPC1 (0.50) | CACNA2D1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL24094169 | 0.86 | NPC1 (0.55) | CACNA2D1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL22966748 | 0.85 | ROCK2 (0.58) | NPC1MEN1KMT2AROCK2ROCK1 | |
| SCHEMBL24094235 | 0.80 | NPC1 (0.44) | CACNA2D1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL24094310 | 0.78 | NPC1 (0.44) | CACNA2D1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL21217772 | 0.76 | TNIK (0.61) | NPC1RAB9AKDRROCK2TNIK | |
| SCHEMBL24610278 | 0.76 | RET (0.48) | CACNA2D1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL24610311 | 0.76 | AGPAT2 (0.42) | CACNA2D1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL22966730 | 0.75 | ROCK1 (0.56) | NPC1RAB9AMEN1KMT2AL3MBTL1 |
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 |