Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.68 |
| ▸ | CTSS | P25774 | 1/20 | 0.58 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8251811 | 1.00 | CTSB (0.68) | CTSBCTSSCFTRCYP3A4 | |
| SCHEMBL13501937 | 0.90 | CTSB (0.71) | CTSBCTSSCYP3A4 | |
| SCHEMBL8242256 | 0.90 | CTSB (0.67) | CTSBCTSSCYP3A4 | |
| SCHEMBL2835640 | 0.89 | CTSB (0.52) | CTSBCTSS | |
| SCHEMBL13501940 | 0.89 | CTSB (0.65) | CTSBCTSSCYP3A4 | |
| SCHEMBL13501942 | 0.88 | CTSB (0.65) | CTSBCTSS | |
| SCHEMBL8249098 | 0.87 | CTSS (0.69) | CTSBCTSS | |
| SCHEMBL4600660 | 0.86 | CTSB (0.64) | CTSBCTSS | |
| SCHEMBL8248125 | 0.86 | CTSB (0.64) | CTSBCTSS | |
| SCHEMBL8170669 | 0.86 | CTSB (0.60) | CTSBCTSSCYP3A4 |
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-1912981-A2 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | Tibotec Pharmaceuticals Ltd. (IE) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007014927-A2 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2007-02-08 | — | — | WO | disclosed |