Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8245182 | 1.00 | CTSK (0.41) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL13502996 | 0.96 | CTSK (0.43) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL8243454 | 0.89 | CTSK (0.42) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL26125909 | 0.89 | CTSK (0.42) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL8081872 | 0.89 | CTSK (0.42) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL8209592 | 0.89 | CTSK (0.42) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL8197090 | 0.87 | CTSK (0.41) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL8234220 | 0.85 | CTSK (0.44) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL3616266 | 0.85 | CTSK (0.44) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL3616089 | 0.85 | CTSK (0.44) | CTSKCTSSCYP3A4AAK1KMT2A |
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-2008036247-A1 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-03-27 | — | — | WO | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |