Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | CASP3 | P42574 | 5/20 | 0.44 |
| ▸ | CASP7 | P55210 | 2/20 | 0.44 |
| ▸ | CASP9 | P55211 | 2/20 | 0.44 |
| ▸ | CASP6 | P55212 | 2/20 | 0.44 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CTSD | P07339 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL623892 | 0.87 | CASP3 (0.46) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL12473604 | 0.84 | CASP3 (0.47) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL10084325 | 0.82 | CASP3 (0.60) | CASP3CASP7CASP9CASP6CASP8 | |
| SCHEMBL23268995 | 0.82 | CASP3 (0.60) | CASP3CASP7CASP9CASP6CASP8 | |
| SCHEMBL23269036 | 0.82 | CASP3 (0.60) | CASP3CASP7CASP9CASP6CASP8 | |
| SCHEMBL623310 | 0.81 | CASP1 (0.47) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL622809 | 0.80 | HDAC1 (0.48) | CASP1CTSD | |
| SCHEMBL29498152 | 0.73 | CTSS (0.49) | CASP3CASP7CASP8CASP1CTSD | |
| SCHEMBL12473600 | 0.73 | CASP3 (0.60) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL12475009 | 0.73 | CASP3 (0.60) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 |
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 |