Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 13/20 | 0.53 |
| ▸ | CTSS | P25774 | 5/20 | 0.48 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13921047 | 0.87 | CTSK (0.41) | CTSKCTSSCAPN1CYP2D6CYP1A2 | |
| SCHEMBL13934698 | 0.84 | CTSK (0.53) | CTSKCTSS | |
| SCHEMBL13934352 | 0.84 | CTSK (0.53) | CTSKCTSS | |
| SCHEMBL16383458 | 0.83 | CYP1A2 (0.51) | CTSKCTSSCYP2D6CYP1A2CYP2C9 | |
| SCHEMBL16383328 | 0.81 | CTSK (0.47) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13934343 | 0.81 | CTSK (0.51) | CTSKCTSSCAPN1CYP2D6CYP1A2 | |
| SCHEMBL13934285 | 0.81 | CTSK (0.51) | CTSKCTSSCAPN1CYP2D6CYP1A2 | |
| SCHEMBL13934730 | 0.80 | CTSK (0.55) | CTSKCTSS | |
| SCHEMBL13934348 | 0.79 | CTSK (0.60) | CTSKCTSSCAPN1CYP1A2CYP2C9 | |
| SCHEMBL13934340 | 0.79 | CTSK (0.60) | CTSKCTSSCAPN1CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7498353-B2 | Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses | RIGEL PHARMACEUTICALS, INC. (US) | 2009-03-03 | — | — | US | disclosed |