Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3937723 | 1.00 | CES1 (0.46) | CES1CES2AKR1B1ALDH1A1TSHR | |
| SCHEMBL28581850 | 0.84 | CYP3A4 (0.45) | CES1CES2AKR1B1ALDH1A1TSHR | |
| SCHEMBL523309 | 0.83 | CES1 (0.48) | CES1CES2AKR1B1ALDH1A1TSHR | |
| SCHEMBL140663 | 0.79 | CES1 (0.44) | CES1CES2AKR1B1ALDH1A1TSHR | |
| SCHEMBL1586708 | 0.79 | CES1 (0.44) | CES1CES2AKR1B1ALDH1A1TSHR | |
| SCHEMBL11034643 | 0.79 | CES1 (0.44) | CES1CES2AKR1B1ALDH1A1TSHR | |
| SCHEMBL95525 | 0.79 | CES1 (0.50) | CES1CES2AKR1B1ALDH1A1TSHR | |
| SCHEMBL11034645 | 0.79 | CES1 (0.44) | CES1CES2AKR1B1ALDH1A1TSHR | |
| SCHEMBL95524 | 0.79 | CES1 (0.50) | CES1CES2AKR1B1ALDH1A1TSHR | |
| SCHEMBL11074864 | 0.77 | CES1 (0.43) | CES1CES2AKR1B1ALDH1A1TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1200546-B1 | ESTERS AND DIESTERS OF 3-CYCLOHEXYL-2-METHYL-1-PROPANOL, PERFUMED ARTICLES CONTAINING THEM AND METHOD OF IMPARTING FRAGRANCE | BUSH BOAKE ALLEN INC (US) | 2005-02-02 | — | — | EP | disclosed |
| EP-1200546-A4 | FRAGRANCE MATERIALS | BUSH BOAKE ALLEN INC (US) | 2003-07-16 | — | — | EP | disclosed |
| EP-1200546-A1 | FRAGRANCE MATERIALS | Bush Boake Allen Inc. (US) | 2002-05-02 | — | — | EP | disclosed |
| US-6187727-B1 | USE OF 2-METHYL-3-CYCLOHEXYLPROPANOL, ESTERS THEREOF OR MIXTURES THEREOF | BUSH BOAKE ALLEN, INC. | 2001-02-13 | — | — | US | disclosed |
| WO-2001004253-A1 | FRAGRANCE MATERIALS | BUSH BOAKE ALLEN INC. (US) | 2001-01-18 | — | — | WO | disclosed |