Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL584055 | 0.84 | HDAC1 (0.37) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL7587948 | 0.82 | ALDH1A1 (0.41) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL112653 | 0.82 | ALDH1A1 (0.47) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL14813255 | 0.82 | TAS1R3 (0.33) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL8651919 | 0.79 | HDAC3 (0.36) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL8650968 | 0.79 | NAAA (0.44) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL585431 | 0.79 | POLB (0.33) | HDAC1HDAC2TDP1HDAC3HDAC4 | |
| SCHEMBL585432 | 0.79 | POLB (0.33) | HDAC1HDAC2TDP1HDAC3HDAC4 | |
| SCHEMBL8650551 | 0.78 | DGKA (0.39) | HDAC1HDAC2HTR2CADRA1ATDP1 | |
| SCHEMBL584054 | 0.78 | CTSK (0.33) | — |
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-0982295-B1 | Ethers; their use as perfuming or flavouring agents; their preparation | FIRMENICH & CIE (CH) | 2002-11-06 | — | — | EP | disclosed |
| US-6129941-A | MADE BY REDUCING CIS-2-ETHYL-3-(2-METHOXYETHYL)THIIRANE TO 1-METHOXY-3-HEXANETHIOL; CONFER AN ODOR AND FLAVOR EFFECT EXTREMELY POWERFUL OF THE CLARY-SAGE TYPE; ADDING TO ENHANCE OR MODIFY THE ODOR OR FLAVOR OF A PERFUMING COMPOSITION | FIRMENICH SA (CH) | 2000-10-10 | — | — | US | disclosed |
| EP-0982295-A2 | Ethers; their use as perfuming or flavouring agents; their preparation | FIRMENICH SA (CH) | 2000-03-01 | — | — | EP | disclosed |