Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 2/20 | 0.31 |
| ▸ | CFD | P00746 | 2/20 | 0.31 |
| ▸ | KLK7 | P49862 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 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 | |
|---|---|---|---|---|
| SCHEMBL12831781 | 0.89 | CYP3A4 (0.36) | CYP3A4CTSB | |
| SCHEMBL12831780 | 0.89 | CYP3A4 (0.37) | CYP3A4CTSB | |
| SCHEMBL8377140 | 0.88 | CTSB (0.36) | CYP3A4CTSB | |
| SCHEMBL12831954 | 0.88 | CYP3A4 (0.36) | CYP3A4CTSB | |
| SCHEMBL12832009 | 0.84 | CYP3A4 (0.36) | CYP3A4CTSB | |
| SCHEMBL13071888 | 0.84 | CYP3A4 (0.39) | CYP3A4CTSBCXCR3 | |
| SCHEMBL12831777 | 0.84 | CYP3A4 (0.34) | CYP3A4CTSB | |
| SCHEMBL7872297 | 0.84 | CYP3A4 (0.52) | CYP3A4ROCK2CTSBROCK1 | |
| SCHEMBL7882736 | 0.83 | CYP3A4 (0.41) | CYP3A4CTSB | |
| SCHEMBL12844703 | 0.81 | CYP3A4 (0.41) | CYP3A4 |
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 |