Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.43 |
| ▸ | PYGL | P06737 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 11/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20028172 | 0.90 | PYGL (0.41) | HDAC8PYGLCCR1ROCK1ROCK2 | |
| SCHEMBL21854150 | 0.84 | CAPN1 (0.52) | CTSL | |
| SCHEMBL21854152 | 0.84 | CAPN1 (0.52) | CTSL | |
| SCHEMBL24444089 | 0.83 | CCR1 (0.40) | HDAC8PYGLCCR1CTSLCNR1 | |
| SCHEMBL24444088 | 0.83 | CCR1 (0.40) | HDAC8PYGLCCR1CTSLCNR1 | |
| SCHEMBL22897279 | 0.83 | CCR1 (0.41) | PYGLCCR1CNR1CNR2 | |
| SCHEMBL20028504 | 0.83 | CCR1 (0.41) | PYGLCCR1CNR1CNR2 | |
| SCHEMBL20028168 | 0.82 | PYGL (0.44) | PYGLCCR1ROCK1ROCK2CNR1 | |
| SCHEMBL20027892 | 0.82 | PYGL (0.44) | PYGLCCR1ROCK1ROCK2CNR1 | |
| SCHEMBL20027530 | 0.76 | CAPN1 (0.56) | — |
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 |