Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TLR4 | O00206 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL42267 | 0.88 | CYP1A2 (0.58) | CYP1A2MAPTPOLBHPGDHTT | |
| Acetic Acid SCHEMBL10708095 | 0.86 | MAPT (0.58) | CYP1A2MAPTPOLBHPGDHTT | |
| SCHEMBL27288023 | 0.86 | CYP1A2 (0.56) | CYP1A2MAPTPOLBHPGDHTT | |
| SCHEMBL548259 | 0.81 | CYP1A2 (0.50) | CYP1A2MAPTHTTLMNAMAPK1 | |
| Butylcyclohexane SCHEMBL14718837 | 0.80 | CYP1A2 (0.75) | CYP1A2MAPTPOLBHPGDHTT | |
| SCHEMBL144946 | 0.80 | CYP1A2 (0.61) | CYP1A2MAPTPOLBHPGDHTT | |
| SCHEMBL8744097 | 0.79 | CYP1A2 (0.48) | CYP1A2MAPTHTTLMNAMAPK1 | |
| SCHEMBL55638 | 0.79 | CYP1A2 (0.48) | CYP1A2MAPTHTTLMNAMAPK1 | |
| SCHEMBL4923265 | 0.79 | CYP1A2 (0.48) | CYP1A2MAPTHTTLMNAMAPK1 | |
| SCHEMBL4921810 | 0.79 | CYP1A2 (0.48) | CYP1A2MAPTHTTLMNAMAPK1 |
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 7 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-110446778-A | 2,3,6- cyclonol is as aromatic and/or flavoring agent | SYMRISE AG | 2019-11-12 | — | — | CN | disclosed |
| CN-110099990-A | Perfume mixture | 西姆莱斯股份公司 | 2019-08-06 | — | — | 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 |