Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CTSD | P07339 | 3/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10084885 | 0.99 | CASP1 (0.46) | CASP1ALDH1A1KMT2ACTSBCTSD | |
| SCHEMBL621504 | 0.91 | CTSB (0.44) | CTSBCNR1 | |
| SCHEMBL10085515 | 0.90 | ITGB3 (0.50) | — | |
| SCHEMBL623355 | 0.90 | ITGB3 (0.39) | CASP1CTSBCTSD | |
| SCHEMBL622810 | 0.90 | CTSB (0.53) | CTSBCTSDCTSK | |
| SCHEMBL622356 | 0.90 | CTSB (0.45) | CTSBCNR1CTSD | |
| SCHEMBL10084886 | 0.89 | ITGB3 (0.48) | — | |
| SCHEMBL622823 | 0.89 | CTSB (0.54) | CTSBCTSDCTSK | |
| SCHEMBL623001 | 0.88 | CTSB (0.50) | CTSB | |
| SCHEMBL622149 | 0.87 | CTSB (0.51) | CTSB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012021788-A2 | DIPEPTIDE CALPAIN INHIBITORS | BANYAN BIOMARKERS (US) | 2012-02-16 | — | — | WO | disclosed |
| WO-2012021788-A2 | DIPEPTIDE CALPAIN INHIBITORS | BANYAN BIOMARKERS (US) | 2012-02-16 | — | — | WO | disclosed |