Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 10/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19870671 | 0.88 | CYP3A4 (0.37) | CYP3A4CTSBCTSS | |
| SCHEMBL8383007 | 0.88 | CYP3A4 (0.40) | CYP3A4CTSBCTSS | |
| SCHEMBL11976283 | 0.88 | CTSB (0.41) | CTSBCTSS | |
| Hydrochloric Acid SCHEMBL1683100 | 0.87 | CTSB (0.41) | CTSBCTSS | |
| SCHEMBL12023496 | 0.87 | CYP3A4 (0.38) | CYP3A4CTSBCTSS | |
| Hydrochloric Acid SCHEMBL4522873 | 0.87 | CTSB (0.41) | CTSBCTSS | |
| SCHEMBL12832009 | 0.86 | CYP3A4 (0.36) | CYP3A4CTSBCTSS | |
| SCHEMBL8377140 | 0.86 | CTSB (0.36) | CYP3A4CTSBMEN1CTSS | |
| SCHEMBL15706019 | 0.86 | CYP3A4 (0.39) | CYP3A4CTSBCTSS | |
| SCHEMBL8237322 | 0.86 | CTSB (0.34) | CTSBMEN1CTSS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009142842-A9 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2010-11-25 | — | — | WO | disclosed |
| WO-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |