Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.84 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | FBP1 | P09467 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.46 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12922328 | 1.00 | CYP2A6 (0.84) | CYP2A6NFE2L2RELAFBP1ALOX5 | |
| SCHEMBL13863393 | 1.00 | CYP2A6 (0.84) | CYP2A6NFE2L2RELAFBP1ALOX5 | |
| SCHEMBL8469408 | 0.92 | CYP2A6 (1.00) | CYP2A6NFE2L2FBP1ALDH1A1TYR | |
| P-Xylene SCHEMBL10939332 | 0.92 | CYP2A6 (1.00) | CYP2A6NFE2L2FBP1ALDH1A1TYR | |
| SCHEMBL29171 | 0.92 | — | — | |
| SCHEMBL586152 | 0.89 | CYP2A6 (0.94) | CYP2A6NFE2L2FBP1ALDH1A1TYR | |
| Iodide SCHEMBL34461933 | 0.89 | CYP2A6 (0.94) | CYP2A6NFE2L2FBP1ALDH1A1TYR | |
| SCHEMBL586330 | 0.89 | CYP2A6 (0.94) | CYP2A6NFE2L2FBP1ALDH1A1TYR | |
| Hydrochloric Acid SCHEMBL14686576 | 0.89 | CYP2A6 (0.94) | CYP2A6NFE2L2FBP1ALDH1A1TYR | |
| SCHEMBL28788188 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009011674-A1 | TRANS-1,2-DIPHENYLETHYLENE DERIVATIVES AND NANOSENSORS MADE THEREFROM | WESTERN MICHIGAN UNIVERSITY RESEARCH FOUNDATION (US) | 2009-01-22 | — | — | WO | disclosed |
| EP-1801181-A2 | Polymers for use in optical devices | Cambridge Display Technology Limited (GB) | 2007-06-27 | — | — | EP | disclosed |