Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Faldaprevir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 1.00 |
| ▸ | PPP3CB | P16298 | 1/20 | 1.00 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.55 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.55 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Faldaprevir SCHEMBL7736941 | 1.00 | CTSB (1.00) | CTSBPPP3CBABCC1ABCC2ABCG2 | |
| Faldaprevir SCHEMBL15462595 | 1.00 | CTSB (1.00) | CTSBPPP3CBABCC1ABCC2ABCG2 | |
| Faldaprevir SCHEMBL25524320 | 1.00 | CTSB (1.00) | CTSBPPP3CBABCC1ABCC2ABCG2 | |
| Faldaprevir SCHEMBL13556415 | 1.00 | CTSB (1.00) | CTSBPPP3CBABCC1ABCC2ABCG2 | |
| Faldaprevir SCHEMBL222429 | 1.00 | CTSB (1.00) | CTSBPPP3CBABCC1ABCC2ABCG2 | |
| Faldaprevir SCHEMBL24058604 | 1.00 | CTSB (1.00) | CTSBPPP3CBABCC1ABCC2ABCG2 | |
| Faldaprevir SCHEMBL227410 | 1.00 | CTSB (1.00) | CTSBPPP3CBABCC1ABCC2ABCG2 | |
| Faldaprevir SCHEMBL31554839 | 1.00 | CTSB (1.00) | CTSBPPP3CBABCC1ABCC2ABCG2 | |
| SCHEMBL7736946 | 0.96 | CTSB (0.93) | CTSBPPP3CBABCC1ABCC2ABCG2 | |
| SCHEMBL11947501 | 0.96 | CTSB (0.93) | CTSBPPP3CBABCC1ABCC2ABCG2 |
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-9732076-B2 | Solid oral dosage formulation of HCV inhibitor in the amorphous state | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-08-15 | — | — | US | disclosed |