Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGKA | P23743 | 1/20 | 0.44 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | PAM | P19021 | 2/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| Butyric Acid SCHEMBL5140513 | 0.93 | FFAR3 (0.48) | DGKAFFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL1866915 | 0.88 | NAAA (0.53) | DGKANAAAHTR2CMAPTDNM1 | |
| Butyric Acid SCHEMBL28805418 | 0.88 | DGKA (0.55) | DGKAFFAR3HDAC3HDAC1HDAC2 | |
| Butyric Acid SCHEMBL28225724 | 0.88 | DGKA (0.55) | DGKAFFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL112594 | 0.86 | DGKA (0.47) | DGKANAAAHTR2CALDH1A1MAPT | |
| Decanoic Acid SCHEMBL2783383 | 0.84 | DGKA (0.62) | DGKAPAMALDH1A1MAPTTSHR | |
| SCHEMBL28341122 | 0.84 | DGKA (0.53) | DGKAPAMALDH1A1MAPTAKR1B1 | |
| Octanoic Acid SCHEMBL31096997 | 0.84 | DGKA (0.62) | DGKAPAMALDH1A1MAPTTSHR | |
| Butane SCHEMBL19690452 | 0.83 | CYP19A1 (0.41) | DGKAFFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL31298521 | 0.83 | CYP19A1 (0.41) | DGKAHDAC1HDAC2PAMHTR2C |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110494539-A | Bicyclic [2.2.1] hept-2-ene\" base-acetic acid esters of 5- is as aromatic and/or flavoring agent | SYMRISE AG | 2019-11-22 | — | — | CN | disclosed |
| CN-109922781-A | 1- [(the 4R) -4- methylcyclohexene -1- base] purposes of ethyl ketone as aromachemicals | 巴斯夫欧洲公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-109906114-A | Spherical particle | 巴斯夫欧洲公司 | 2019-06-18 | — | — | CN | disclosed |
| CN-104937087-B | Purposes of the 4,8- dimethyl -3,7- nonadiene -2- alcohol as aromatic | 巴斯夫欧洲公司 | 2019-04-09 | — | — | CN | disclosed |
| CN-108137460-A | Use of a novel mixture of (E/Z) -cyclopentadecanone isomers, preparation thereof and use as odorant substance | 巴斯夫欧洲公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-107001996-A | Use of hexadeca-8, 15-dienal as aroma chemical | 巴斯夫欧洲公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-106715375-A | Use of novel cyclic carbaldeydes as an aromatic substance | 巴斯夫欧洲公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-106661498-A | Isomer mixtures of unsaturated macrocyclic musk compounds | 西姆莱斯有限公司 | 2017-05-10 | — | — | CN | disclosed |