Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13090482 | 1.00 | CTSS (0.36) | CTSSEGFRCTSBPPP3CBADRB3 | |
| SCHEMBL577646 | 0.95 | CTSS (0.35) | CTSSEGFRCTSBPPP3CBADRB3 | |
| SCHEMBL13090483 | 0.95 | CTSS (0.35) | CTSSEGFRCTSBPPP3CBADRB3 | |
| SCHEMBL591780 | 0.90 | EGFR (0.34) | EGFRPPARDPPARA | |
| SCHEMBL13090495 | 0.90 | EGFR (0.34) | EGFRPPARDPPARA | |
| SCHEMBL15216171 | 0.85 | CTSB (0.35) | CTSSCTSBPPP3CBADRB3ADRA2B | |
| SCHEMBL15026861 | 0.84 | CTSB (0.34) | CTSSCTSBPPP3CBADRB3ADRA2B | |
| SCHEMBL592193 | 0.84 | PPARD (0.32) | EGFRPPARDPPARA | |
| SCHEMBL12545335 | 0.84 | CTSS (0.33) | CTSSADRB3ADRA2BADRA2CPPARD | |
| SCHEMBL312963 | 0.83 | UCHL1 (0.36) | CTSSCTSBPPP3CBADRB3ADRA2B |
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-2417134-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX Pharmaceuticals, Inc. (US) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010118078-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |