Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11244176 | 1.00 | NAAA (0.37) | NAAAKMT2AMEN1CYP2C9POLB | |
| SCHEMBL10759371 | 0.95 | NAAA (0.40) | NAAAKMT2AMEN1CYP2C9POLB | |
| SCHEMBL7900518 | 0.95 | NAAA (0.40) | NAAAKMT2AMEN1CYP2C9POLB | |
| SCHEMBL11218030 | 0.95 | NAAA (0.40) | NAAAKMT2AMEN1CYP2C9POLB | |
| SCHEMBL7908266 | 0.95 | NAAA (0.40) | NAAAKMT2AMEN1CYP2C9POLB | |
| SCHEMBL7900514 | 0.95 | NAAA (0.40) | NAAAKMT2AMEN1CYP2C9POLB | |
| SCHEMBL10416941 | 0.95 | NAAA (0.40) | NAAAKMT2AMEN1CYP2C9POLB | |
| SCHEMBL11039249 | 0.90 | TLR4 (0.39) | NAAAKMT2AMEN1CYP2C9POLB | |
| SCHEMBL9502487 | 0.90 | TLR4 (0.39) | NAAAKMT2AMEN1CYP2C9POLB | |
| SCHEMBL11040168 | 0.90 | TLR4 (0.39) | NAAAKMT2AMEN1CYP2C9POLB |
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-0023730-B1 | CYCLOHEXYLCYCLOHEXANOATES, PROCESS FOR THEIR PREPARATION AND LIQUID-CRYSTAL MIXTURE CONTAINING THEM | MERCK PATENT GmbH (DE) | 1982-11-03 | — | — | EP | disclosed |
| US-4349452-A | ANISOTROPIC, LIQUID CRYSTALS | MERCK PATENT GMBH (DE) | 1982-09-14 | — | — | US | disclosed |
| EP-0023730-A1 | Cyclohexylcyclohexanoates, process for their preparation and liquid-crystal mixture containing them | MERCK PATENT GmbH (DE) | 1981-02-11 | — | — | EP | disclosed |