Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9246334 | 0.80 | SMN1; SMN2 (0.41) | CES1CES2ESR1ALDH1A1MAPK1 | |
| SCHEMBL7803264 | 0.79 | KDM1A (0.42) | KDM1ADEGS1CES1CES2ESR1 | |
| SCHEMBL27574053 | 0.79 | KDM1A (0.42) | KDM1ADEGS1CES1CES2ESR1 | |
| Hydrogen Peroxide SCHEMBL9619642 | 0.79 | KDM1A (0.42) | KDM1ADEGS1CES1CES2ESR1 | |
| SCHEMBL3631547 | 0.79 | KDM1A (0.42) | KDM1ADEGS1CES1CES2ESR1 | |
| SCHEMBL10591109 | 0.79 | KDM1A (0.42) | KDM1ADEGS1CES1CES2ESR1 | |
| SCHEMBL7550545 | 0.77 | KDM1A (0.41) | KDM1ADEGS1CES1CES2ESR1 | |
| SCHEMBL10711207 | 0.76 | ESR1 (0.40) | CES1CES2ESR1ALDH1A1MAPK1 | |
| SCHEMBL10626460 | 0.76 | NFE2L2 (0.43) | CES1CES2ALDH1A1MAPK1TRPA1 | |
| SCHEMBL10626456 | 0.76 | NFE2L2 (0.43) | CES1CES2ALDH1A1MAPK1TRPA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0399284-B1 | Method for the production of geminal diarylalkanes, geminal diarylalkanes and alk(en)ylated aromatic compounds | BAYER AG (DE) | 1995-08-02 | — | — | EP | disclosed |
| US-5136114-A | PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-04 | — | — | US | disclosed |
| EP-0399284-A2 | Method for the production of geminal diarylalkanes, geminal diarylalkanes and alk(en)ylated aromatic compounds | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |