Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | ACP3 | P15309 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL11023073 | 0.79 | CYP2A6 (0.44) | CYP1A2ALDH1A1CYP2A6ACP3KIF11 | |
| SCHEMBL16933751 | 0.79 | CYP2A6 (0.44) | CYP1A2ALDH1A1CYP2A6ACP3KIF11 | |
| Ammonia Solution, Strong SCHEMBL23144523 | 0.78 | CYP2A6 (0.43) | CYP1A2ALDH1A1CYP2A6ACP3KIF11 | |
| SCHEMBL2127614 | 0.78 | ALDH1A1 (0.43) | CYP1A2ALDH1A1CYP2A6ACP3CYP2C19 | |
| SCHEMBL11143179 | 0.77 | CYP1A2 (0.39) | CYP1A2ALDH1A1CYP2A6ACP3KIF11 | |
| SCHEMBL7853160 | 0.76 | TAAR1 (0.48) | CYP1A2ALDH1A1CYP2A6KIF11CYP2C19 | |
| SCHEMBL9247746 | 0.76 | KCNN4 (0.39) | ALDH1A1KIF11CYP2D6TSHRTDP1 | |
| SCHEMBL586805 | 0.76 | ALDH1A1 (0.41) | CYP1A2ALDH1A1CYP2A6ACP3KIF11 | |
| SCHEMBL2128287 | 0.76 | HTR1B (0.40) | CYP1A2ALDH1A1CYP2A6CYP2C19CYP2D6 | |
| SCHEMBL1538546 | 0.74 | CYP2A6 (0.54) | CYP1A2ALDH1A1CYP2A6ACP3CYP2C19 |
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 |