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 | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | SI | P14410 | 1/20 | 0.57 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.40 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27471902 | 1.00 | MGAM (0.57) | MGAMGAASIMGAM2KDM4E | |
| Acetic Acid SCHEMBL19468 | 1.00 | MGAM (0.57) | MGAMGAASIMGAM2KDM4E | |
| Acetic Acid SCHEMBL30289950 | 0.97 | MGAM (0.55) | MGAMGAASIMGAM2KDM4E | |
| Acetic Acid SCHEMBL29077645 | 0.97 | MGAM (0.55) | MGAMGAASIMGAM2KDM4E | |
| Acetic Acid SCHEMBL28638804 | 0.97 | MGAM (0.55) | MGAMGAASIMGAM2KDM4E | |
| Acetic Acid SCHEMBL1418759 | 0.97 | MGAM (0.55) | MGAMGAASIMGAM2KDM4E | |
| Bicarbonate SCHEMBL27949760 | 0.92 | MGAM (0.52) | MGAMGAASIMGAM2KDM4E | |
| SCHEMBL2148 | 0.91 | — | — | |
| SCHEMBL13169650 | 0.91 | — | — | |
| SCHEMBL12140935 | 0.91 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1194517-A1 | ANTIMICROBIAL MULTI-PURPOSE MICROEMULSION CONTAINING A CATIONIC SURFACTANT | Colgate-Palmolive Company (US) | 2002-04-10 | — | — | EP | claimed |
| WO-2001000777-A1 | ANTIMICROBIAL MULTI-PURPOSE MICROEMULSION CONTAINING A CATIONIC SURFACTANT | COLGATE-PALMOLIVE COMPANY (US) | 2001-01-04 | — | — | WO | claimed |
| US-6096701-A | EFFICIENT DEGREASING AQUEOUS MIXTURE OF DISINFECTANT, BOOSTER AGENT FOR THE DISINFECTANT, ANIONIC SURFACTANT, WATER SOLUBLE COSURFACTANT, FATTY ACID, NONIONIC SURFACTANT, AND WATER INSOLUBLE VEGETABLE OIL/PERFUME; HARD SURFACE CLEANER | COLGATE PALMOLIVE COMPANY (US) | 2000-08-01 | — | — | US | claimed |
| EP-1272596-A1 | LIGHT DUTY LIQUID CLEANING COMPOSITION | Colgate-Palmolive Company (US) | 2003-01-08 | — | — | EP | disclosed |
| EP-1194517-A1 | ANTIMICROBIAL MULTI-PURPOSE MICROEMULSION CONTAINING A CATIONIC SURFACTANT | Colgate-Palmolive Company (US) | 2002-04-10 | — | — | EP | disclosed |
| WO-2001079402-A1 | LIGHT DUTY LIQUID CLEANING COMPOSITION | COLGATE-PALMOLIVE COMPANY (US) | 2001-10-25 | — | — | WO | disclosed |
| WO-2001000777-A1 | ANTIMICROBIAL MULTI-PURPOSE MICROEMULSION CONTAINING A CATIONIC SURFACTANT | COLGATE-PALMOLIVE COMPANY (US) | 2001-01-04 | — | — | WO | disclosed |
| US-6156717-A | Light duty liquid cleaning composition comprising an ethoxylated methyl ester | COLGATE-PALMOLIVE COMPANY (US) | 2000-12-05 | — | — | US | disclosed |
| US-6096701-A | EFFICIENT DEGREASING AQUEOUS MIXTURE OF DISINFECTANT, BOOSTER AGENT FOR THE DISINFECTANT, ANIONIC SURFACTANT, WATER SOLUBLE COSURFACTANT, FATTY ACID, NONIONIC SURFACTANT, AND WATER INSOLUBLE VEGETABLE OIL/PERFUME; HARD SURFACE CLEANER | COLGATE PALMOLIVE COMPANY (US) | 2000-08-01 | — | — | US | disclosed |