Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL1091 | 1.00 | CYP2A6 (0.47) | CYP2A6ALOX12CYP1A2CA1CA2 | |
| Water SCHEMBL27894314 | 1.00 | CYP2A6 (0.47) | CYP2A6ALOX12CYP1A2CA1CA2 | |
| Hydroxyl Radical SCHEMBL28175225 | 0.97 | CYP2A6 (0.44) | CYP2A6ALOX12CYP1A2CA1CA2 | |
| SCHEMBL27432717 | 0.97 | CYP2A6 (0.44) | CYP2A6ALOX12CYP1A2CA1CA2 | |
| SCHEMBL26087222 | 0.97 | CYP2A6 (0.44) | CYP2A6ALOX12CYP1A2CA1CA2 | |
| SCHEMBL8588369 | 0.97 | CYP2A6 (0.44) | CYP2A6ALOX12CYP1A2CA1CA2 | |
| SCHEMBL27684039 | 0.97 | CYP2A6 (0.44) | CYP2A6ALOX12CYP1A2CA1CA2 | |
| SCHEMBL28397979 | 0.97 | CYP2A6 (0.44) | CYP2A6ALOX12CYP1A2CA1CA2 | |
| SCHEMBL11505201 | 0.97 | CYP2A6 (0.44) | CYP2A6ALOX12CYP1A2CA1CA2 | |
| Water SCHEMBL27744164 | 0.97 | CYP2A6 (0.44) | CYP2A6ALOX12CYP1A2CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1868717-B1 | MANUFACTURE OF THIOLACTONES | DSM IP ASSETS BV (NL) | 2013-03-27 | — | — | EP | disclosed |