Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.49 |
| ▸ | CASP3 | P42574 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 4/20 | 0.48 |
| ▸ | CTSL | P07711 | 3/20 | 0.48 |
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | CASP9 | P55211 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL623598 | 1.00 | CTSD (0.52) | CTSDCYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL623599 | 1.00 | CTSD (0.52) | CTSDCYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7323342 | 0.92 | CYP3A4 (0.60) | CTSDCYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL623817 | 0.91 | CTSD (0.53) | CTSDCYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10084557 | 0.89 | CYP3A4 (0.55) | CTSDCYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10084883 | 0.87 | ITGB3 (0.51) | CTSDCYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30601624 | 0.85 | CYP3A4 (0.55) | CTSDCYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL621233 | 0.85 | CTSB (0.61) | CTSDCASP3CA2CA5ACTSK | |
| SCHEMBL621232 | 0.85 | CTSB (0.61) | CTSDCASP3CA2CA5ACTSK | |
| SCHEMBL621234 | 0.85 | CTSB (0.61) | CTSDCASP3CA2CA5ACTSK |
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 |