Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ACE | P12821 | 2/20 | 0.49 |
| ▸ | CASP3 | P42574 | 4/20 | 0.44 |
| ▸ | CASP8 | Q14790 | 4/20 | 0.44 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | CASP7 | P55210 | 3/20 | 0.44 |
| ▸ | CPA1 | P15085 | 2/20 | 0.43 |
| ▸ | CPB1 | P15086 | 1/20 | 0.43 |
| ▸ | CPA3 | P15088 | 1/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20408407 | 0.83 | ACE (0.46) | CYP2C19ACEMETAP2PPARGPPARA | |
| SCHEMBL25220488 | 0.83 | ACE (0.54) | CYP2C19ACEPPARGPPARA | |
| SCHEMBL20395348 | 0.82 | CYP2C19 (0.55) | CYP2C19ACECPA1CPB1CPA3 | |
| SCHEMBL5179571 | 0.81 | CYP2C19 (0.53) | CYP2C19ACECASP3CASP8CASP1 | |
| SCHEMBL16181502 | 0.80 | TRPA1 (0.46) | CYP2C19ACEMETAP2PPARGPPARA | |
| SCHEMBL1357871 | 0.79 | ACE (0.58) | CYP2C19ACEMETAP2PPARGPPARA | |
| SCHEMBL10268771 | 0.79 | ACE (0.58) | CYP2C19ACEMETAP2PPARGPPARA | |
| SCHEMBL1741031 | 0.79 | ACE (0.58) | CYP2C19ACEMETAP2PPARGPPARA | |
| SCHEMBL9906423 | 0.78 | ACE (0.43) | CYP2C19ACEMETAP2PPARGPPARA | |
| SCHEMBL20412172 | 0.78 | CYP2C19 (0.50) | CYP2C19ACECPA1CPB1CPA3 |
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-1339692-A1 | NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002042277-A1 | NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-30 | — | — | WO | disclosed |