Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 10/20 | 0.60 |
| ▸ | CASP7 | P55210 | 1/20 | 0.56 |
| ▸ | CASP9 | P55211 | 1/20 | 0.56 |
| ▸ | CASP6 | P55212 | 1/20 | 0.56 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 2/20 | 0.43 |
| ▸ | FCER2 | P06734 | 2/20 | 0.42 |
| ▸ | MME | P08473 | 3/20 | 0.42 |
| ▸ | ACE | P12821 | 2/20 | 0.42 |
| ▸ | CPA1 | P15085 | 2/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12473600 | 1.00 | CASP3 (0.60) | CASP3CASP7CASP9CASP6CASP8 | |
| SCHEMBL12473604 | 0.78 | CASP3 (0.47) | CASP3CASP7CASP9CASP6CASP8 | |
| SCHEMBL16333981 | 0.75 | MME (0.50) | CASP3ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL23269036 | 0.74 | CASP3 (0.60) | CASP3CASP7CASP9CASP6CASP8 | |
| SCHEMBL10084325 | 0.74 | CASP3 (0.60) | CASP3CASP7CASP9CASP6CASP8 | |
| SCHEMBL23268995 | 0.74 | CASP3 (0.60) | CASP3CASP7CASP9CASP6CASP8 | |
| SCHEMBL623151 | 0.73 | ALDH1A1 (0.45) | CASP3CASP7CASP9CASP6CASP8 | |
| SCHEMBL623892 | 0.73 | CASP3 (0.46) | CASP3CASP7CASP9CASP6CASP8 | |
| SCHEMBL14345793 | 0.72 | CTSC (0.55) | ACE | |
| SCHEMBL7173208 | 0.72 | MEN1 (0.53) | ALDH1A1HSD17B10 |
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-2012021788-A2 | DIPEPTIDE CALPAIN INHIBITORS | BANYAN BIOMARKERS (US) | 2012-02-16 | — | — | WO | disclosed |