Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.39 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 6/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAST3 | O60307 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1934827 | 0.77 | CYP2C8 (0.48) | CYP3A4CYP2C8EPHB3MAPK8 | |
| SCHEMBL1935003 | 0.76 | EPHB3 (0.40) | NPC1RAB9AHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL1937087 | 0.74 | CYP2C8 (0.44) | CYP3A4CYP2C8IDO1 | |
| SCHEMBL1936907 | 0.72 | CYP2C8 (0.54) | CYP3A4CYP2C8IDO1MAST3MAPK8 | |
| SCHEMBL10834334 | 0.64 | NPC1 (0.52) | NPC1RAB9AHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL17867589 | 0.63 | NPC1 (0.51) | NPC1RAB9AHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL32683984 | 0.62 | AKT1 (0.43) | NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL9911902 | 0.62 | CYP2C8 (0.62) | CYP3A4CYP2C8IDO1 | |
| SCHEMBL1935412 | 0.62 | CYP2C8 (0.57) | CYP3A4CYP2C8IDO1MAST3MAPK8 | |
| SCHEMBL13184794 | 0.62 | MAPK14 (0.59) | NPC1RAB9A |
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-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 |