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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.42 |
| ▸ | MEN1 | O00255 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CASP3 | P42574 | 2/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | ALPG | P10696 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7234791 | 0.92 | MEN1 (0.46) | KMT2AMEN1RAB9ALMNAMAPT | |
| Acetic Acid SCHEMBL7235881 | 0.90 | KMT2A (0.50) | KMT2AMEN1RAB9ALMNAMAPT | |
| Acetic Acid SCHEMBL7233861 | 0.90 | SMPD3 (0.41) | LMNAFYNIDO1TDO2 | |
| Acetic Acid SCHEMBL7233241 | 0.88 | KMT2A (0.48) | KMT2AMEN1RAB9ALMNAMAPT | |
| Acetic Acid SCHEMBL7235569 | 0.86 | FYN (0.42) | KMT2AMEN1RAB9ALMNAMAPT | |
| Acetic Acid SCHEMBL7235306 | 0.86 | KMT2A (0.46) | KMT2AMEN1RAB9ALMNAMAPT | |
| Acetic Acid SCHEMBL7242238 | 0.84 | TNKS (0.47) | ALDH1A1 | |
| Acetic Acid SCHEMBL7242119 | 0.83 | FYN (0.43) | KMT2AMEN1RAB9ALMNAMAPT | |
| Acetic Acid SCHEMBL7243728 | 0.82 | GAA (0.45) | KMT2AMEN1RAB9ALMNAMAPT | |
| Acetic Acid SCHEMBL7242221 | 0.82 | KMT2A (0.51) | KMT2AMEN1RAB9ALMNAMAPT |
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 5 patents. 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 | claimed |
| US-6541490-B1 | Treating ischemia or reoxygenation injury; preparation from a bipyridine, a benzeneboronic acid and a manganese salt | EUKARION, INC. | 2003-04-01 | — | — | US | disclosed |
| EP-1119573-A2 | BIPYRIDINE MANGANESE COMPLEXES | EUKARION, INC. (US) | 2001-08-01 | — | — | EP | disclosed |
| 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 |
| WO-2000009512-A2 | BIPYRIDINE MANGANESE COMPLEXES | EUKARION, INC. (US) | 2000-02-24 | — | — | WO | disclosed |