Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 6/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.31 |
| ▸ | LPAR3 | Q9UBY5 | 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 | |
|---|---|---|---|---|
| SCHEMBL1241766 | 0.95 | EPHX1 (0.37) | CASP1EPHX1HRH3ALDH1A1GAA | |
| SCHEMBL749178 | 0.95 | EPHX1 (0.37) | CASP1EPHX1HRH3ALDH1A1GAA | |
| SCHEMBL733063 | 0.94 | EPHX1 (0.39) | CASP1EPHX1HRH3ALDH1A1GAA | |
| SCHEMBL749995 | 0.94 | EPHX1 (0.39) | CASP1EPHX1HRH3ALDH1A1GAA | |
| SCHEMBL731484 | 0.94 | EPHX1 (0.39) | CASP1EPHX1HRH3ALDH1A1GAA | |
| SCHEMBL750588 | 0.94 | EPHX1 (0.39) | CASP1EPHX1HRH3ALDH1A1GAA | |
| SCHEMBL749162 | 0.94 | EPHX1 (0.38) | CASP1EPHX1HRH3ALDH1A1GAA | |
| SCHEMBL733185 | 0.94 | EPHX1 (0.38) | CASP1EPHX1HRH3ALDH1A1GAA | |
| SCHEMBL731071 | 0.93 | EPHX1 (0.40) | CASP1EPHX1HRH3ALDH1A1GAA | |
| SCHEMBL750012 | 0.93 | EPHX1 (0.40) | CASP1EPHX1HRH3ALDH1A1GAA |
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-8138164-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-03-20 | — | — | US | disclosed |