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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | STAT6 | P42226 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Tetraxetan SCHEMBL4533056 | 0.95 | HSD17B10 (0.56) | HSD17B10SLC6A9NPSR1S1PR1ACE | |
| Tetraxetan SCHEMBL6260240 | 0.89 | HSD17B10 (0.61) | HSD17B10SLC6A9S1PR1ALDH1A1GAA | |
| Tetraxetan SCHEMBL1880329 | 0.89 | HSD17B10 (0.61) | HSD17B10SLC6A9S1PR1ALDH1A1GAA | |
| Tetraxetan SCHEMBL5370171 | 0.87 | HSD17B10 (0.58) | HSD17B10SLC6A9NPSR1S1PR1ALDH1A1 | |
| Tetraxetan SCHEMBL2533646 | 0.87 | HSD17B10 (0.58) | HSD17B10SLC6A9S1PR1ALDH1A1GAA | |
| Tetraxetan SCHEMBL2635294 | 0.87 | HSD17B10 (0.64) | HSD17B10SLC6A9NPSR1S1PR1ALDH1A1 | |
| SCHEMBL173508 | 0.87 | HSD17B10 (0.64) | HSD17B10SLC6A9NPSR1S1PR1ALDH1A1 | |
| SCHEMBL321989 | 0.87 | HSD17B10 (0.64) | HSD17B10SLC6A9NPSR1S1PR1ALDH1A1 | |
| SCHEMBL6848102 | 0.87 | HSD17B10 (0.64) | HSD17B10SLC6A9NPSR1S1PR1ALDH1A1 | |
| Tetraxetan SCHEMBL18018 | 0.87 | HSD17B10 (0.64) | HSD17B10SLC6A9NPSR1S1PR1ALDH1A1 |
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-6160194-A | Soil decontamination using ferric chelates and peroxide | THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) | 2000-12-12 | — | — | US | claimed |