Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 12/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4297033 | 0.94 | STING1 (0.38) | STING1CYP3A4IRAK4 | |
| SCHEMBL1074488 | 0.89 | CYP3A4 (0.40) | STING1CYP3A4PIK3CDPIK3CAPIK3CB | |
| SCHEMBL1074490 | 0.89 | CYP3A4 (0.40) | STING1CYP3A4PIK3CDPIK3CAPIK3CB | |
| Hydrochloric Acid SCHEMBL1071141 | 0.86 | IRAK4 (0.39) | STING1IRAK4 | |
| SCHEMBL16318483 | 0.82 | CYP3A4 (0.41) | MMP2ANPEPCYP3A4PIK3CDPIK3CA | |
| SCHEMBL16318484 | 0.82 | CYP3A4 (0.41) | MMP2ANPEPCYP3A4PIK3CDPIK3CA | |
| SCHEMBL4301154 | 0.80 | APAF1 (0.39) | CYP3A4IRAK4 | |
| SCHEMBL4298045 | 0.79 | CYP3A4 (0.38) | CYP3A4IRAK4 | |
| SCHEMBL12934494 | 0.78 | CYP3A4 (0.38) | CYP3A4PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL16318497 | 0.78 | CYP3A4 (0.55) | CYP3A4IRAK4 |
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-2079479-A2 | HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008051475-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |