Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 3/20 | 0.41 |
| ▸ | AKT2 | P31751 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | BAD | Q92934 | 1/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7893129 | 0.80 | AKT1 (0.41) | AKT1AKT2ALDH1A1KDM4EHPGD | |
| SCHEMBL13035382 | 0.79 | TP53 (0.43) | MEN1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14705971 | 0.78 | ALDH1A1 (0.61) | CYP1A2CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL12306384 | 0.77 | AKT1 (0.41) | MEN1CYP1A2CYP2C19KMT2AAKT1 | |
| SCHEMBL7896304 | 0.77 | ALDH1A1 (0.63) | CYP1A2CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL7894902 | 0.77 | AKT1 (0.40) | CYP1A2CYP2C19AKT1AKT2ALDH1A1 | |
| SCHEMBL16678539 | 0.76 | GPBAR1 (0.62) | CYP1A2AKT1AKT2ALDH1A1KDM4E | |
| SCHEMBL7893227 | 0.74 | AKT1 (0.39) | CYP1A2CYP2C19AKT1AKT2ALDH1A1 | |
| SCHEMBL7894246 | 0.74 | ALOX5 (0.40) | MEN1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL5740019 | 0.74 | ALDH1A1 (0.50) | MEN1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2545050-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011112186-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-09-15 | — | — | WO | disclosed |
| EP-2331502-A2 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010030538-A2 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-03-18 | — | — | WO | disclosed |