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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.35 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.33 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Triethylene Glycol SCHEMBL545520 | 0.94 | TSHR (0.54) | TSHRALDH1A1MEN1KMT2AMAPK1 | |
| Ethylene Glycol SCHEMBL545519 | 0.92 | ALDH1A1 (0.56) | TSHRALDH1A1MEN1KMT2ACHRM5 | |
| Triethylene Glycol SCHEMBL545518 | 0.90 | TSHR (0.54) | TSHRALDH1A1MEN1KMT2AMAPK1 | |
| Acetic Acid SCHEMBL4002516 | 0.90 | ALDH1A1 (0.46) | TSHRALDH1A1CHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL28166428 | 0.90 | ALDH1A1 (0.58) | TSHRALDH1A1CHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL2513783 | 0.88 | MEN1 (0.52) | TSHRALDH1A1MEN1KMT2AMAPK1 | |
| Di(Hydroxyethyl)Ether SCHEMBL29026583 | 0.88 | MEN1 (0.52) | TSHRALDH1A1MEN1KMT2AMAPK1 | |
| Acetic Acid SCHEMBL2515140 | 0.88 | MEN1 (0.52) | TSHRALDH1A1MEN1KMT2AMAPK1 | |
| Diethylene Glycol Monoethyl Ether SCHEMBL29037448 | 0.87 | ALDH1A1 (0.68) | TSHRALDH1A1MEN1KMT2AMAPK1 | |
| Diethylene Glycol Monoethyl Ether SCHEMBL28082957 | 0.87 | ALDH1A1 (0.68) | TSHRALDH1A1MEN1KMT2AMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8168694-B2 | Ink composition, ink set, ink for inkjet recording, ink set for inkjet recording, and ink cartridge for inkjet recording | FUJIFILM CORPORATION (JP) | 2012-05-01 | — | — | US | disclosed |
| US-20060004125-A1 | Ink composition, ink set, ink for inkjet recording, ink set for inkjet recording, and ink cartridge for inkjet recording | FUJI PHOTO FILM CO., LTD. | 2006-01-05 | — | — | US | disclosed |