Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.45 |
| ▸ | CTSS | P25774 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27709512 | 0.87 | CTSK (0.55) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL10510504 | 0.85 | CTSK (0.57) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL27709374 | 0.85 | CTSK (0.57) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL8234220 | 0.84 | CTSK (0.44) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL13502996 | 0.83 | CTSK (0.43) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL8081872 | 0.80 | CTSK (0.42) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL8243454 | 0.80 | CTSK (0.42) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL26129227 | 0.80 | CTSS (0.53) | CTSKCTSSAAK1KMT2AHDAC4 | |
| SCHEMBL8209592 | 0.80 | CTSK (0.42) | CTSKCTSSCYP3A4AAK1KMT2A | |
| SCHEMBL26129228 | 0.80 | CTSS (0.53) | CTSKCTSSAAK1KMT2AHDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101356156-B | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC | 2012-12-05 | — | — | CN | disclosed |
| CN-101356156-A | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2009-01-28 | — | — | CN | disclosed |