Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | AOC1 | P19801 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL8401749 | 0.65 | CYP2C9 (0.33) | CYP2C9CYP2C19 | |
| SCHEMBL16629066 | 0.65 | — | — | |
| SCHEMBL9407872 | 0.62 | — | — | |
| SCHEMBL19140044 | 0.61 | — | — | |
| SCHEMBL7743985 | 0.61 | — | — | |
| SCHEMBL15922361 | 0.61 | — | — | |
| SCHEMBL3645265 | 0.61 | — | — | |
| SCHEMBL9566184 | 0.60 | — | — | |
| SCHEMBL6679243 | 0.60 | — | — | |
| SCHEMBL29741132 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005066162-A1 | SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2005-07-21 | — | — | WO | disclosed |