Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | PLA2G10 | O15496 | 2/20 | 0.48 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 4/20 | 0.43 |
| ▸ | PPARA | Q07869 | 4/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6654285 | 0.83 | ITGB3 (0.41) | TGM2LMNAALDH1A1CTSKITGB3 | |
| SCHEMBL5226937 | 0.83 | PPARA (0.55) | PPARGPPARATGM2CTSKCTSB | |
| SCHEMBL6268181 | 0.82 | MME (0.57) | CTSKCTSBITGB3ITGA2BCTSL | |
| SCHEMBL6187732 | 0.82 | MME (0.57) | CTSKCTSBITGB3ITGA2BCTSL | |
| SCHEMBL7250898 | 0.81 | PPARA (0.57) | PPARGPPARAANPEPCTSKCTSB | |
| SCHEMBL7289392 | 0.81 | PPARA (0.57) | PPARGPPARAANPEPCTSKCTSB | |
| SCHEMBL5228193 | 0.81 | PPARA (0.57) | PPARGPPARAANPEPCTSKCTSB | |
| SCHEMBL7290207 | 0.80 | MTNR1A (0.51) | PLA2G10PLA2G2ACNR2ANPEPLMNA | |
| SCHEMBL7447301 | 0.79 | CTSK (0.44) | CYP2C19PLA2G10LMNACTSKTDP1 | |
| SCHEMBL6654077 | 0.79 | PLA2G10 (0.46) | CYP3A4CYP2C9CYP2C19PLA2G10PLA2G2A |
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-1432678-A1 | HIV PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003029206-A1 | PREPARATION OF HIV PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-10 | — | — | WO | disclosed |