Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14304431 | 0.89 | CYP2A6 (0.37) | CYP1A2CYP2A6 | |
| SCHEMBL319839 | 0.84 | CYP2A6 (0.48) | CYP1A2CYP2A6ESR1ESR2 | |
| SCHEMBL24808500 | 0.84 | CYP2A6 (0.54) | CYP2A6 | |
| SCHEMBL21215460 | 0.84 | CYP2A6 (0.54) | CYP1A2CYP2A6 | |
| SCHEMBL14733926 | 0.84 | CYP1A2 (0.54) | CYP1A2ESR1ESR2 | |
| SCHEMBL11959837 | 0.82 | ALDH1A1 (0.50) | CYP1A2CYP2A6 | |
| SCHEMBL14983311 | 0.82 | ALDH1A1 (0.50) | CYP1A2CYP2A6 | |
| SCHEMBL12809407 | 0.80 | ALDH1A1 (0.39) | CYP1A2CYP2A6 | |
| SCHEMBL22705421 | 0.78 | HPRT1 (0.41) | CYP1A2CYP2A6 | |
| SCHEMBL13865663 | 0.76 | CYP2A6 (0.52) | CYP1A2CYP2A6 |
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-2499115-B1 | PROCESS FOR PREPARING HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) | 2016-07-27 | — | — | EP | disclosed |
| WO-2010036551-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-01 | — | — | WO | disclosed |