Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | ADH1C | P00326 | 1/20 | 0.36 |
| ▸ | ADH1A | P07327 | 1/20 | 0.36 |
| ▸ | ADH4 | P08319 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LSS | P48449 | 2/20 | 0.35 |
| ▸ | CCR2 | P41597 | 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 | |
|---|---|---|---|---|
| SCHEMBL1532890 | 1.00 | CYP1A2 (0.45) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL9121859 | 0.98 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL9646856 | 0.98 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL10986409 | 0.98 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL10986413 | 0.98 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL11279649 | 0.98 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL27917417 | 0.98 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL27917441 | 0.98 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL27914394 | 0.98 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL19077941 | 0.96 | CYP1A2 (0.42) | CYP1A2PKMHTTMEN1KMT2A |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2646525-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-05-18 | — | — | EP | disclosed |
| CN-103265417-B | Method for synthesizing 4-[2-(trans-4-alkyl cyclohexyl )ethyl]cyclohexanone | XI AN CAIJING OPTO ELECTRICAL SCIENCE & TECHNOLOGY CO LTD | 2015-05-13 | — | — | CN | disclosed |
| CN-103254902-B | Fluorine-containing liquid crystal compound containing ethane bridged bond and -CF2O- bridged bond | XIAN MODERN CHEMISTRY RES INST | 2015-02-11 | — | — | CN | disclosed |
| CN-103242133-B | Synthesis method of 4-[2-(trans-4-alkylcyclohexyl)ethyl] bromobenzene | XIAN MODERN CHEMISTRY RES INST | 2015-02-11 | — | — | CN | disclosed |
| CN-103145525-B | Synthesis method of 1 - fluoro - 3 - [2 - (trans- 4 - alkyl cyclohexyl) ethyl] benzene | XIAN MODERN CHEMISTRY RES INST | 2015-02-11 | — | — | CN | disclosed |
| CN-103242854-B | Fluorine-containing liquid crystal compound | XI'AN INST. OF MODERN CHEMISTRY (CN) | 2014-10-15 | — | — | CN | disclosed |
| EP-2646525-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2013-10-09 | — | — | EP | disclosed |
| CN-103242133-A | Synthesis method of 4-[2-(trans-4-alkylcyclohexyl)ethyl] bromobenzene | XIAN MODERN CHEMISTRY RES INST | 2013-08-14 | — | — | CN | disclosed |
| CN-103242854-A | Fluorine-containing liquid crystal compound | XIAN MODERN CHEMISTRY RES INST | 2013-08-14 | — | — | CN | disclosed |
| CN-103145525-A | Synthesis method of 1 - fluoro - 3 - [2 - (trans- 4 - alkyl cyclohexyl) ethyl] benzene | XIAN MODERN CHEMISTRY RES INST | 2013-06-12 | — | — | CN | disclosed |
| US-4583826-A | Phenylethanes | HOFFMANN-LA ROCHE INC. (US) | 1986-04-22 | — | — | US | disclosed |
| EP-0129177-A2 | Nematic benzonitriles | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-12-27 | — | — | EP | disclosed |
| EP-0111695-A2 | Pyridazine derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-06-27 | — | — | EP | disclosed |
| EP-0110205-A2 | Coloured liquid crystal mixtures containing phenyl ethanes | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-06-13 | — | — | EP | disclosed |
| EP-0107116-A1 | Dicyanobenzenes | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-05-02 | — | — | EP | disclosed |
| US-4439015-A | Disubstituted ethanes | HOFFMANN-LA ROCHE INC. (US) | 1984-03-27 | — | — | US | disclosed |
| US-4389329-A | Meterocyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 1983-06-21 | — | — | US | disclosed |
| EP-0014885-B1 | CYCLOHEXYLPYRIMIDINES, THEIR PREPARATION AND USE, AS WELL AS LIQUID CRYSTALS MIXTURES AND ELECTRO-OPTICAL APPARATUSES CONTAINING THESE COMPOUNDS AND THEIR PREPARATION | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-06-15 | — | — | EP | disclosed |
| US-4273929-A | Heterocyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 1981-06-16 | — | — | US | disclosed |
| EP-0014885-A1 | Cyclohexylpyrimidines, their preparation and use, as well as liquid crystals mixtures and electro-optical apparatuses containing these compounds and their preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1980-09-03 | — | — | EP | disclosed |