Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9243122 | 0.83 | TSHR (0.40) | ALDH1A1MAPTKMT2ATSHR | |
| SCHEMBL28047727 | 0.75 | ALDH1A1 (0.41) | CYP1A2CYP2C19HIF1AALDH1A1ALOX15 | |
| SCHEMBL9244761 | 0.75 | ALDH1A1 (0.41) | CYP1A2CYP2C19HIF1AALDH1A1ALOX15 | |
| SCHEMBL9249701 | 0.75 | KCNN4 (0.33) | ALDH1A1ALOX15HDAC3HDAC1HDAC2 | |
| SCHEMBL2534969 | 0.74 | CYP1A2 (0.42) | CYP2D6CYP1A2CYP2C19HIF1AALDH1A1 | |
| SCHEMBL9246304 | 0.69 | ESR2 (0.39) | CYP2D6CYP1A2CYP2C19HIF1AALDH1A1 | |
| SCHEMBL8860513 | 0.68 | CYP2D6 (0.50) | CYP2D6CYP1A2CYP2C19HIF1AALDH1A1 | |
| SCHEMBL3959121 | 0.66 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP2C19HIF1AALDH1A1 | |
| SCHEMBL9402267 | 0.66 | TSHR (0.48) | CYP2D6CYP1A2CYP2C19HIF1AALDH1A1 | |
| SCHEMBL12884227 | 0.66 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP2C19HIF1AALDH1A1 |
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 |