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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PAOX | Q6QHF9 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9058913 | 0.94 | CA1 (0.50) | CA1FFAR3HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL11473958 | 0.94 | CA1 (0.50) | CA1FFAR3HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL11453484 | 0.87 | CA1 (0.57) | CA1FFAR3HDAC3HDAC1HDAC2 | |
| Acetone SCHEMBL9557946 | 0.83 | — | — | |
| Hexadecylamine SCHEMBL27818378 | 0.82 | DNM1 (0.62) | CES1CES2TSHRALDH1A1PAOX | |
| Acetic Acid SCHEMBL25240316 | 0.80 | FFAR3 (0.50) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Acetic Acid SCHEMBL11302391 | 0.80 | CA1 (0.57) | CA1FFAR3HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL245760 | 0.80 | CA1 (0.57) | CA1FFAR3HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL4860103 | 0.80 | CA1 (0.57) | CA1FFAR3HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL22398545 | 0.80 | CA1 (0.57) | CA1FFAR3HDAC3HDAC1HDAC2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4220729-A | ORGANIC AMINE-METAL COMPLEX SOLUBLE IN ISOCYANATE RAW MATERIAL | MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) | 1980-09-02 | — | — | US | disclosed |