Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | GRM8 | O00222 | 1/20 | 0.39 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.37 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10202032 | 0.81 | TAAR1 (0.47) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL1474395 | 0.80 | TAAR1 (0.42) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL18520668 | 0.80 | ERN1 (0.48) | CYP1A1CYP1B1CYP1A2CYP11B1CYP11B2 | |
| SCHEMBL91919 | 0.78 | DAO (0.36) | — | |
| SCHEMBL1474459 | 0.77 | TAAR1 (0.40) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL1476208 | 0.77 | HSD11B1 (0.41) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL19556689 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP1A1CYP1B1CYP1A2MITF | |
| SCHEMBL13817437 | 0.76 | TAAR1 (0.39) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL13785344 | 0.74 | TAAR1 (0.45) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL17356414 | 0.74 | SOS1 (0.38) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3334801-B1 | MATERIAL COMBINATION | MERCK PATENT GMBH (DE) | 2020-05-27 | — | — | EP | disclosed |
| EP-3090033-B1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2018-07-04 | — | — | EP | disclosed |
| US-9809749-B2 | Mesogenic compound, liquid-crystal medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2017-11-07 | — | — | US | disclosed |
| WO-2017025167-A1 | MATERIAL COMBINATION | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | WO | disclosed |
| EP-2568032-B1 | Liquid crystal medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2014-11-26 | — | — | EP | disclosed |
| EP-2568032-A2 | Liquid crystal medium and liquid crystal display | Merck Patent GmbH (DE) | 2013-03-13 | — | — | EP | disclosed |