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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.37 |
| ▸ | ELANE | P08246 | 2/20 | 0.35 |
| ▸ | CTSG | P08311 | 2/20 | 0.35 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.35 |
| ▸ | FEN1 | P39748 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | IAPP | P10997 | 2/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7239493 | 0.97 | HSD17B1 (0.37) | HSD17B1HSD17B2ELANECTSGP4HTM | |
| Acetic Acid SCHEMBL7239234 | 0.84 | ALOX5AP (0.45) | HSD17B1HSD17B2P4HTMALOX5APFEN1 | |
| Hydrochloric Acid SCHEMBL7242455 | 0.84 | HSD17B1 (0.43) | HSD17B1HSD17B2ELANECTSGALOX5AP | |
| Acetic Acid SCHEMBL7241148 | 0.84 | ALDH1A1 (0.37) | HSD17B1HSD17B2ELANECTSGP4HTM | |
| Acetic Acid SCHEMBL7241378 | 0.82 | FEN1 (0.41) | HSD17B1HSD17B2P4HTMALOX5APFEN1 | |
| Acetic Acid SCHEMBL7243133 | 0.81 | FYN (0.43) | — | |
| Acetic Acid SCHEMBL7236791 | 0.80 | FYN (0.44) | — | |
| Acetic Acid SCHEMBL7241567 | 0.79 | NPC1 (0.39) | HSD17B1HSD17B2ELANECTSGALOX5AP | |
| Acetic Acid SCHEMBL7232585 | 0.78 | NCOA3 (0.37) | — | |
| Acetic Acid SCHEMBL7235068 | 0.77 | ALOX5AP (0.45) | ALOX5APFEN1 |
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-6177419-B1 | ANTIOXIDANT CHELATE COMPOUNDS FOR PREVENTING OXYGEN FREE RADICAL-ASSOCIATED DISEASES IN MAMMALS; NEUROPROTECTANTS, SUPEROXIDE DISMUTASE (SOD), CATALASE (CAT) AND/OR PEROXIDASE (POD) MIMETICS | EUKARION, INC. | 2001-01-23 | — | — | US | disclosed |