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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | EZH2 | Q15910 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 SCHEMBL28041142 | 0.98 | GAA (0.56) | GAATSHRKMT2AALDH1A1ESR1 | |
| Ammonia Solution, Strong SCHEMBL1170766 | 0.96 | GAA (0.53) | GAATSHRKMT2AALDH1A1ESR1 | |
| SCHEMBL451661 | 0.94 | GAA (0.54) | GAATSHRKMT2AALDH1A1ESR1 | |
| Benzene SCHEMBL995594 | 0.92 | GAA (0.63) | GAATSHRKMT2AALDH1A1ESR1 | |
| SCHEMBL27498797 | 0.92 | GAA (0.53) | GAATSHRKMT2AALDH1A1ESR1 | |
| Hydrochloric Acid SCHEMBL28576871 | 0.92 | GAA (0.53) | GAATSHRKMT2AALDH1A1ESR1 | |
| Acetic Acid SCHEMBL27741665 | 0.87 | GAA (0.47) | GAATSHRKMT2AALDH1A1ESR1 | |
| SCHEMBL11495138 | 0.82 | GAA (0.59) | GAATSHRKMT2AEZH2POLB | |
| SCHEMBL17931088 | 0.81 | GAA (0.44) | GAATSHRKMT2AALDH1A1ESR1 | |
| SCHEMBL194301 | 0.81 | GAA (0.44) | GAATSHRKMT2AALDH1A1ESR1 |
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-100338125-C | Flame retardant composition comprising a phosphonic acid metal salt and a nitrogen-containing compound | CIBA SC HOLDING AG (CH) | 2007-09-19 | — | — | CN | disclosed |
| CN-1950436-A | Flame retardants | CIBA SC HOLDING AG (CH) | 2007-04-18 | — | — | CN | disclosed |
| CN-1714120-A | Flame retardant composition comprising a phosphonic acid metal salt and a nitrogen-containing compound | CIBA SC HOLDING AG (CH) | 2005-12-28 | — | — | CN | disclosed |
| CN-1498229-A | Surface-active photoinitiators | �������⻯ѧƷ�ع�����˾ | 2004-05-19 | — | — | CN | disclosed |
| CN-1481392-A | Surface-active photoinitiators | �������⻯ѧƷ�ع�����˾ | 2004-03-10 | — | — | CN | disclosed |
| EP-1268633-A1 | STABILIZING MIXTURES FOR ORGANIC POLYMERS | Great Lakes Chemical (Europe) GmbH (CH) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001070868-A1 | STABLILIZING MIXTURES FOR ORGANIC POLYMERS | GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) | 2001-09-27 | — | — | WO | disclosed |