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 | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 SCHEMBL6600591 | 0.97 | WDR5 (0.46) | WDR5ALDH1A1HPGDMAPTLDHA | |
| Acetic Acid SCHEMBL29430099 | 0.97 | WDR5 (0.46) | WDR5ALDH1A1HPGDMAPTLDHA | |
| Acetic Acid SCHEMBL4438549 | 0.93 | WDR5 (0.49) | WDR5ALDH1A1HPGDMAPTLDHA | |
| Acetic Acid SCHEMBL28652453 | 0.92 | WDR5 (0.47) | WDR5ALDH1A1HPGDMAPTLDHA | |
| Bicarbonate SCHEMBL16371144 | 0.92 | WDR5 (0.47) | WDR5ALDH1A1HPGDMAPTLDHA | |
| Acetic Acid SCHEMBL29392612 | 0.92 | WDR5 (0.47) | WDR5ALDH1A1HPGDMAPTLDHA | |
| SCHEMBL5107 | 0.88 | ALDH1A1 (0.44) | WDR5ALDH1A1MAPTLDHAKDM4E | |
| SCHEMBL146878 | 0.88 | ALDH1A1 (0.44) | WDR5ALDH1A1MAPTLDHAKDM4E | |
| SCHEMBL29350037 | 0.88 | ALDH1A1 (0.44) | WDR5ALDH1A1MAPTLDHAKDM4E | |
| SCHEMBL29496111 | 0.88 | ALDH1A1 (0.44) | WDR5ALDH1A1MAPTLDHAKDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2419519-B1 | PROCESS FOR PRODUCING (3R)-HYDROXYBUTYL (3R)-HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING ALCOHOL DEHYDROGENASES OR KETO REDUCTASES | UNIV OXFORD INNOVATION LTD (GB) | 2019-03-27 | — | — | EP | disclosed |
| US-9034613-B2 | Process for the preparation of (3R)-hydroxybutyl (3R)-hydroxybutyrate by enzymatic enantioselective reduction employing Lactobacillus brevis alcohol dehydrogenase | ISIS INNOVATION LIMITED | 2015-05-19 | — | — | US | disclosed |
| US-20120064611-A1 | Process For The Preparation of (3R)-Hydroxybutyl (3R) -Hydroxybutyrate By Enzymatic Enantioselective Reduction Employing Lactobacillus Brevis Alcohol Dehydrogenase | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2012-03-15 | — | — | US | disclosed |
| EP-2419519-A1 | PROCESS FOR THE PREPARATION OF (3R)-HYDR0XYBUTYL (3R) -HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING LACTOBACILLUS BREVIS ALCOHOL DEHYDROGENASE | Isis Innovation Limited (GB) | 2012-02-22 | — | — | EP | disclosed |
| US-7919508-B2 | 3-piperidinylisochroman-5-ols as dopamine agonists | AVENTIS PHARMACEUTICALS INC. (US) | 2011-04-05 | — | — | US | disclosed |
| WO-2010120300-A1 | PROCESS FOR THE PREPARATION OF (3R)-HYDR0XYBUTYL (3R) -HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING LACTOBACILLUS BREVIS ALCOHOL DEHYDROGENASE | ISIS INNOVATION LIMITED (GB) | 2010-10-21 | — | — | WO | disclosed |
| US-20070099955-A1 | 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-05-03 | — | — | US | disclosed |
| US-6239285-B1 | REACTING A TETRAHYDRO-4-(3-(4-FLUOROPHENYL)THIO)PHENYL-2H-PYRAN-4-CARBOXA MIDE WITH HETEROCYCLE RING | PFIZER INC | 2001-05-29 | — | — | US | disclosed |
| EP-1081144-A2 | Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems | Pfizer Products Inc. (US) | 2001-03-07 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120064611-A1 | Process For The Preparation of (3R)-Hydroxybutyl (3R) -Hydroxybutyrate By Enzymatic Enantioselective Reduction Employing Lactobacillus Brevis Alcohol Dehydrogenase | ADH5, ADH1A, ADH1C | WDR5 3031/4885ALDH1A1 20/4885HPGD 208/4885 |
| US-20070099955-A1 | 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS | DRD3, DRD2, DRD4 | WDR5 846/4885ALDH1A1 241/4885HPGD 2355/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.