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 | |
|---|---|---|---|---|
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.42 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | F2 | P00734 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1953844 | 0.96 | TSHR (0.59) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL8919297 | 0.86 | TSHR (0.50) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL5155599 | 0.86 | CES2 (0.53) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL22924627 | 0.86 | TSHR (0.57) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL31335122 | 0.84 | TDP1 (0.67) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL27687246 | 0.84 | TDP1 (0.52) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL1786261 | 0.83 | TSHR (0.59) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL29199324 | 0.83 | TDP1 (0.64) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL260960 | 0.83 | TDP1 (0.64) | TDP1TSHRALDH1A1HSD17B10LMNA | |
| Hydrogen Peroxide SCHEMBL28474133 | 0.83 | TDP1 (0.64) | TDP1TSHRALDH1A1HSD17B10LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0122763-B1 | BLEACH COMPOSITIONS | Interox Chemicals Limited (GB) | 1987-06-16 | — | — | EP | claimed |
| US-4545784-A | LOW-TEMPERATURE ACTIVATED BLEACHES; LAUNDERING; ANTISEPTICS; STORAGE STABILITY | INTEROX CHEMICALS LIMITED (GB) | 1985-10-08 | — | — | US | claimed |
| EP-0122763-A2 | Bleach compositions | Interox Chemicals Limited (GB) | 1984-10-24 | — | — | EP | claimed |
| EP-0122763-B1 | BLEACH COMPOSITIONS | Interox Chemicals Limited (GB) | 1987-06-16 | — | — | EP | disclosed |
| US-4545784-A | LOW-TEMPERATURE ACTIVATED BLEACHES; LAUNDERING; ANTISEPTICS; STORAGE STABILITY | INTEROX CHEMICALS LIMITED (GB) | 1985-10-08 | — | — | US | disclosed |
| EP-0122763-A2 | Bleach compositions | Interox Chemicals Limited (GB) | 1984-10-24 | — | — | EP | disclosed |