Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOLH1 | Q04609 | 3/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.51 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 2/20 | 0.49 |
| ▸ | CTSK | P43235 | 3/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | KYNU | Q16719 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4313267 | 1.00 | FOLH1 (0.52) | FOLH1SIRT2SIRT1CTSLCTSK | |
| SCHEMBL8447913 | 0.89 | FOLH1 (0.54) | FOLH1SIRT2SIRT1CTSLCTSK | |
| SCHEMBL13914075 | 0.89 | FOLH1 (0.54) | FOLH1SIRT2SIRT1CTSLCTSK | |
| SCHEMBL3414548 | 0.88 | CTSK (0.51) | CTSLCTSKPPARGPPARACTSB | |
| SCHEMBL2342652 | 0.88 | CTSK (0.51) | CTSLCTSKPPARGPPARACTSB | |
| SCHEMBL3209279 | 0.88 | SYK (0.49) | SIRT2SIRT1CTSLCTSKPPARA | |
| SCHEMBL3209286 | 0.88 | SYK (0.49) | SIRT2SIRT1CTSLCTSKPPARA | |
| SCHEMBL749652 | 0.84 | SIRT2 (0.49) | SIRT2SIRT1CTSLCTSKCTSS | |
| SCHEMBL5970693 | 0.84 | FOLH1 (0.56) | FOLH1SIRT2SIRT1CTSLCTSK | |
| SCHEMBL6299667 | 0.84 | FOLH1 (0.56) | FOLH1SIRT2SIRT1CTSLCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2079683-A2 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | ViroBay, Inc. (US) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008042968-A2 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2008-04-10 | — | — | WO | disclosed |