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 | 12/20 | 0.52 |
| ▸ | ESR2 known ✓ | Q92731 | 11/20 | 0.52 |
| ▸ | SHBG | P04278 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | ESRRG | P62508 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL49704 | 0.89 | SHBG (0.64) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| Formaldehyde SCHEMBL3696750 | 0.88 | SHBG (0.57) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| SCHEMBL9490738 | 0.87 | SHBG (0.61) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| Hydrogen Sulfide SCHEMBL11598921 | 0.87 | SHBG (0.61) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| Potassium SCHEMBL29827429 | 0.87 | SHBG (0.61) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| SCHEMBL2811934 | 0.87 | SHBG (0.61) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| SCHEMBL29827667 | 0.87 | SHBG (0.61) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28084841 | 0.87 | SHBG (0.61) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| Phenol SCHEMBL27712303 | 0.86 | ESR1 (0.57) | SHBGESR1ESR2CYP3A4ALDH1A1 | |
| Acetaldehyde SCHEMBL28422641 | 0.84 | SHBG (0.53) | SHBGESR1ESR2CYP3A4ALDH1A1 |
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-4342473-A | Pressure-sensitive copy systems containing phenolic ester as color-stabilizers | CHAMPION INTERNATIONAL CORPORATION (US) | 1982-08-03 | — | — | US | disclosed |