Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 2/20 | 0.52 |
| ▸ | DCAF1 | Q9Y4B6 | 1/20 | 0.48 |
| ▸ | TACR3 | P29371 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | CTSV | O60911 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | KLK1 | P06870 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL22897243 | 0.91 | DCAF1 (0.51) | PYGLDCAF1CTSVCTSLCTSS | |
| SCHEMBL20027718 | 0.91 | DCAF1 (0.51) | PYGLDCAF1CTSVCTSLCTSS | |
| SCHEMBL22886627 | 0.91 | PYGL (0.48) | PYGLDCAF1TACR3CNR1CNR2 | |
| SCHEMBL22897244 | 0.90 | DCAF1 (0.46) | PYGLDCAF1TACR3CYP2C19CYP3A4 | |
| SCHEMBL22885979 | 0.87 | PYGL (0.46) | PYGLDCAF1TACR3CYP2C9CYP2C19 | |
| SCHEMBL22886530 | 0.87 | PYGL (0.46) | PYGLTACR3CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL20027722 | 0.83 | DCAF1 (0.48) | DCAF1CTSVCTSLCTSSCTSK | |
| SCHEMBL20027914 | 0.82 | DCAF1 (0.48) | PYGLDCAF1ALDH1A1 | |
| SCHEMBL22885969 | 0.82 | DCAF1 (0.48) | PYGLDCAF1CTSVCTSLCTSS | |
| SCHEMBL22897214 | 0.81 | DCAF1 (0.51) | PYGLDCAF1CNR1CNR2CTSV |
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 |