Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TNF | P01375 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13409354 | 0.83 | TRPA1 (0.58) | CYP3A4TRPA1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8271696 | 0.82 | TRPA1 (0.51) | CYP3A4TRPA1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8273097 | 0.81 | MEN1 (0.48) | CYP3A4TRPA1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1536597 | 0.79 | TNF (0.48) | CYP3A4TRPA1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13409326 | 0.76 | ATM (0.40) | TNFL3MBTL1IRAK4MAPT | |
| SCHEMBL13409741 | 0.75 | TNF (0.49) | CYP3A4TRPA1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13385161 | 0.75 | TRPA1 (0.56) | CYP3A4TRPA1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13409340 | 0.74 | CYP19A1 (0.43) | TRPA1CYP2C19TRPM8L3MBTL1KMO | |
| SCHEMBL24250119 | 0.72 | IRAK4 (0.45) | CYP3A4TRPA1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13409343 | 0.71 | LRRK2 (0.42) | CYP1A2IRAK4ALDH1A1 |
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-7705146-B2 | Hepatitis C inhibitor peptide analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-27 | — | — | US | disclosed |