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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL7096874 | 0.93 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRCA2CA12 | |
| SCHEMBL410880 | 0.89 | ALDH1A1 (0.71) | ALDH1A1TDP1TSHRCA2CA12 | |
| SCHEMBL29440405 | 0.89 | ALDH1A1 (0.71) | ALDH1A1TDP1TSHRCA2CA12 | |
| SCHEMBL29688168 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRCA2CA12 | |
| SCHEMBL983097 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRCA2CA12 | |
| SCHEMBL1410514 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRCA2CA12 | |
| Bicarbonate SCHEMBL4558570 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRCA2CA12 | |
| SCHEMBL7096873 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRCA2CA1 | |
| SCHEMBL9350195 | 0.80 | PTGS2 (0.46) | ALDH1A1TDP1TSHRCA2CA1 | |
| Acetic Acid SCHEMBL7622828 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCA2CA12 |
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-5362843-A | Phenyl branching agents | HOECHST CELANESE CORPORATION (US) | 1994-11-08 | — | — | US | disclosed |