Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CTSD | P07339 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL622370 | 0.92 | LPAR3 (0.53) | CYP3A4MAPK1 | |
| SCHEMBL623511 | 0.90 | CNR1 (0.53) | CYP3A4MAPK1HDAC1HDAC6CNR1 | |
| SCHEMBL10085512 | 0.86 | ITGB3 (0.51) | CNR1 | |
| SCHEMBL622810 | 0.84 | CTSB (0.53) | CTSD | |
| SCHEMBL623404 | 0.83 | CTSD (0.52) | CTSD | |
| SCHEMBL623353 | 0.83 | CTSD (0.52) | CTSD | |
| SCHEMBL622823 | 0.83 | CTSB (0.54) | CTSD | |
| SCHEMBL621676 | 0.82 | CTSD (0.50) | CTSD | |
| SCHEMBL621465 | 0.82 | CAPN1 (0.52) | CTSDHDAC1HDAC6CASP1 | |
| SCHEMBL622809 | 0.82 | HDAC1 (0.48) | CTSDHDAC1HDAC6CASP1 |
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 |