Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ciluprevir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.75 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.75 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.75 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.34 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Ciluprevir SCHEMBL1735179 | 1.00 | ADRB3 (0.75) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| Ciluprevir SCHEMBL1736294 | 1.00 | ADRB3 (0.75) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| Ciluprevir SCHEMBL12300089 | 1.00 | ADRB3 (0.75) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| Ciluprevir SCHEMBL16199312 | 1.00 | ADRB3 (0.75) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| Ciluprevir SCHEMBL18671856 | 1.00 | ADRB3 (0.75) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| Ciluprevir SCHEMBL5152261 | 1.00 | ADRB3 (0.75) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| Ciluprevir SCHEMBL16438974 | 1.00 | ADRB3 (0.75) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| Ciluprevir SCHEMBL2524642 | 1.00 | ADRB3 (0.75) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| SCHEMBL13915576 | 0.96 | ADRB3 (0.70) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| SCHEMBL12154816 | 0.96 | ADRB3 (0.69) | ADRB3ADRA2BADRA2CCTSBCTSS |
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-1799194-A2 | A NEW CLASS OF SURFACTANT-LIKE MATERIALS COMPRISING VITAMIN E TPGS AND A WATER SOLUBLE POLYMER | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006036614-A2 | A NEW CLASS OF SURFACTANT-LIKE MATERIALS COMPRISING VITAMIN E TPGS AND A WATER SOLUBLE POLYMER | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2006-04-06 | — | — | WO | disclosed |