Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 3/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 8/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.41 |
| ▸ | RPS6KA4 | O75676 | 2/20 | 0.41 |
| ▸ | PRKACA | P17612 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | PRKX | P51817 | 2/20 | 0.41 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.41 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.41 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20028023 | 1.00 | PIN1 (0.45) | PIN1ROCK2ROCK1MAPK1RPS6KA5 | |
| SCHEMBL22897297 | 0.85 | CAPN1 (0.42) | ITGB1ITGA4ITGB7 | |
| SCHEMBL20028635 | 0.85 | CAPN1 (0.42) | ITGB1ITGA4ITGB7 | |
| SCHEMBL30133621 | 0.85 | CAPN1 (0.42) | ITGB1ITGA4ITGB7 | |
| SCHEMBL20027528 | 0.84 | CAPN1 (0.49) | ITGB1ITGA4ITGB7 | |
| SCHEMBL21854362 | 0.84 | CAPN1 (0.49) | ITGB1ITGA4ITGB7 | |
| SCHEMBL21854168 | 0.80 | CAPN1 (0.49) | ITGB1ITGA4ITGB7NPC1RAB9A | |
| SCHEMBL21854167 | 0.80 | CAPN1 (0.49) | ITGB1ITGA4ITGB7NPC1RAB9A | |
| SCHEMBL20027596 | 0.79 | CAPN1 (0.50) | PIN1ROCK2ROCK1MAPK1RPS6KA5 | |
| SCHEMBL20028562 | 0.79 | NPC1 (0.36) | NPC1RAB9AKMT2A |
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-2018064119-A1 | CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF | BLADE THERAPEUTICS, INC. (US) | 2018-04-05 | — | — | WO | disclosed |