Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 6/20 | 0.45 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | OGG1 | O15527 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18508 | 0.85 | — | — | |
| SCHEMBL9635143 | 0.82 | CYP2A6 (0.73) | CYP2A6ALDH1A1ALOX15MAPK1CES2 | |
| Ammonia Solution, Strong SCHEMBL28776475 | 0.80 | — | — | |
| SCHEMBL9496102 | 0.80 | CYP2A6 (0.89) | CYP2A6ALDH1A1ALOX15MAPK1CES2 | |
| Methane SCHEMBL21489530 | 0.80 | CYP2A6 (0.89) | CYP2A6ALDH1A1ALOX15MAPK1CES2 | |
| SCHEMBL3138002 | 0.80 | — | — | |
| SCHEMBL21518322 | 0.80 | — | — | |
| SCHEMBL14245180 | 0.75 | CYP2A6 (0.50) | CYP2A6ALDH1A1ALOX15MAPK1CES2 | |
| SCHEMBL330691 | 0.75 | — | — | |
| SCHEMBL68094 | 0.73 | ALDH1A1 (0.73) | CYP2A6ALDH1A1ALOX15MAPK1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5118739-A | Flame retardant macromolecular materials containing brominated aromatic sulfonic acid salts | ETHYL CORPORATION (US) | 1992-06-02 | — | — | US | disclosed |