Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.35 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.35 |
| ▸ | SYK | P43405 | 2/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | PAK4 | O96013 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 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 | |
|---|---|---|---|---|
| SCHEMBL20054471 | 0.85 | NLN (0.42) | SCN10ACYP11B1CYP11B2NLNPYGL | |
| SCHEMBL20054552 | 0.81 | NLN (0.43) | SCN10ACYP11B1CYP11B2NLNPYGL | |
| SCHEMBL19388433 | 0.79 | NLN (0.39) | CYP2A6CYP3A4CYP17A1NQO2CYP1A2 | |
| SCHEMBL15116782 | 0.79 | NLN (0.39) | CYP2A6CYP3A4CYP17A1NQO2CYP1A2 | |
| SCHEMBL12648128 | 0.79 | NLN (0.41) | SCN10ANLN | |
| SCHEMBL20054396 | 0.74 | GSK3B (0.55) | HDAC1HDAC6GSK3BDYRK1A | |
| SCHEMBL20054519 | 0.72 | CACNA1B (0.41) | SCN10AROCK2HDAC1MAPTGSK3B | |
| SCHEMBL20054430 | 0.71 | AAK1 (0.41) | NLNMAPT | |
| SCHEMBL20054398 | 0.71 | SSTR3 (0.42) | CYP3A4CYP17A1HDAC1HDAC6GSK3B | |
| SCHEMBL15116812 | 0.71 | SSTR3 (0.42) | CYP3A4CYP17A1HDAC1HDAC6GSK3B |
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-3019196-B1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-06-06 | — | — | EP | disclosed |
| EP-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |