Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 6/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL13617057 | 0.93 | CYP3A4 (0.47) | CYP3A4ROCK2CTSBGRM4GSK3B | |
| SCHEMBL3694454 | 0.93 | CYP3A4 (0.47) | CYP3A4ROCK2CTSBGRM4GSK3B | |
| Hydrochloric Acid SCHEMBL3697893 | 0.93 | CYP3A4 (0.47) | CYP3A4ROCK2CTSBGRM4GSK3B | |
| SCHEMBL12773145 | 0.88 | CYP3A4 (0.65) | CYP3A4 | |
| SCHEMBL8260772 | 0.88 | CYP3A4 (0.54) | CYP3A4ROCK2CTSBGRM4 | |
| SCHEMBL6913445 | 0.88 | CYP3A4 (0.65) | CYP3A4 | |
| SCHEMBL12108567 | 0.88 | CYP3A4 (0.65) | CYP3A4 | |
| SCHEMBL3360649 | 0.88 | CYP3A4 (0.65) | CYP3A4 | |
| SCHEMBL12464414 | 0.88 | CYP3A4 (0.65) | CYP3A4 | |
| SCHEMBL13223877 | 0.88 | CYP3A4 (0.65) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7696242-B2 | Hepatitis C inhibitor peptide analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-13 | — | — | US | disclosed |