Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2655561 | 0.83 | CYP1A2 (0.59) | CYP3A4CYP2D6CYP1A2PRMT1TDP1 | |
| SCHEMBL7796812 | 0.82 | CYP2D6 (0.61) | CYP3A4CYP2D6CYP1A2PRMT1TDP1 | |
| SCHEMBL13348421 | 0.80 | CYP2D6 (0.46) | CYP3A4CYP2D6CYP1A2PRMT1TDP1 | |
| SCHEMBL2656196 | 0.78 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP1A2PRMT1TDP1 | |
| SCHEMBL6832141 | 0.75 | PPID (0.44) | CYP3A4CYP2D6CYP1A2PRMT1ALDH1A1 | |
| SCHEMBL6447334 | 0.72 | CYP1A2 (0.43) | CYP3A4CYP2D6CYP1A2PRMT1TDP1 | |
| SCHEMBL5680340 | 0.70 | CYP1A2 (0.46) | CYP3A4CYP2D6CYP1A2PRMT1TDP1 | |
| SCHEMBL5680420 | 0.69 | CYP2D6 (0.63) | CYP3A4CYP2D6CYP1A2PRMT1IDO1 | |
| Bromide SCHEMBL20854775 | 0.69 | CYP1A2 (0.57) | CYP3A4CYP2D6CYP1A2PRMT1TDP1 | |
| SCHEMBL12879664 | 0.69 | CYP2D6 (0.68) | CYP3A4CYP2D6CYP1A2PRMT1IDO1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6805893-B2 | 3-MERCAPTO-2-METHYL-BUTAN-1-OL STEREOISOMERS OR ENANTIOMORPHS ARE USED TO FLAVOR FOODS AND/OR BEVERAGES | GIVAUDAN SA (CH) | 2004-10-19 | — | — | US | disclosed |
| US-20040047960-A1 | Mercapto-alkanol flavor compounds | GIVAUDAN SA | 2004-03-11 | — | — | US | disclosed |
| US-6610346-B1 | 3- mercapto-2-methyl-butan-1-ol and/or 3-mercapto-3-methyl-hexan-1- ol, and the stereoisomers of each, are used to flavor products, such as foods and/or beverages. Methods for the preparation of both | GIVAUDAN SCHWEIZ AG (CH) | 2003-08-26 | — | — | US | disclosed |
| EP-1055667-A2 | Mercapto alcohols as flavouring compounds | Givaudan SA (CH) | 2000-11-29 | — | — | EP | disclosed |