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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28650787 | 0.91 | TSHR (0.75) | TSHRALDH1A1POLBLMNACES2 | |
| Methyl Alcohol SCHEMBL27890061 | 0.85 | TSHR (0.83) | TSHRALDH1A1LMNACES2CES1 | |
| Acetoacetic Acid SCHEMBL11062529 | 0.85 | TSHR (0.54) | TSHRALDH1A1POLBRECQLMAPT | |
| SCHEMBL9284480 | 0.83 | TSHR (0.52) | TSHRALDH1A1POLBLMNACES2 | |
| Acetic Acid SCHEMBL8748134 | 0.83 | CYP3A4 (0.59) | TSHRALDH1A1POLBLMNABLM | |
| Ethane SCHEMBL27617757 | 0.83 | TSHR (0.88) | TSHRALDH1A1LMNAGAANR4A2 | |
| Benzene SCHEMBL27633873 | 0.83 | TSHR (0.88) | TSHRALDH1A1LMNANR4A2HSD17B10 | |
| 1,2-Dichlorobenzene SCHEMBL27754908 | 0.83 | TSHR (0.59) | TSHRALDH1A1POLBLMNACYP1A2 | |
| 1,2-Dichlorobenzene SCHEMBL8528441 | 0.83 | TSHR (0.59) | TSHRALDH1A1POLBLMNACYP1A2 | |
| Acetic Acid SCHEMBL7113663 | 0.83 | CYP3A4 (0.59) | TSHRALDH1A1POLBLMNABLM |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9073819-B2 | Compositions, methods of use, and methods of treatment | UNIVERSITY OF SOUTH FLORIDA (US) | 2015-07-07 | — | — | US | disclosed |
| US-20140221473-A1 | Compositions, Methods of Use, and Methods of Treatment | UNIVERSITY OF SOUTH FLORIDA | 2014-08-07 | — | — | US | disclosed |
| WO-2013003669-A2 | COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT | UNIVERSITY OF SOUTH FLORIDA (US) | 2013-01-03 | — | — | WO | disclosed |
| EP-0721944-B1 | IMIDAZOLIDINE DERIVATIVE AND USE THEREOF | SUNTORY LTD (JP) | 2001-01-17 | — | — | EP | disclosed |
| US-5691335-A | CARDIOVASCULAR DISORDERS | SUNTORY LIMITED (JP) | 1997-11-25 | — | — | US | disclosed |
| EP-0721944-A1 | IMIDAZOLIDINE DERIVATIVE AND USE THEREOF | SUNTORY LIMITED (JP) | 1996-07-17 | — | — | EP | disclosed |
| EP-0279125-A1 | Tetrahydropyrido(1,2-a)indole derivatives, process for their preparation and pharmaceutical compositions containing them | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1988-08-24 | — | — | 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 (1 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-20140221473-A1 | Compositions, Methods of Use, and Methods of Treatment | KCNQ5, KCNQ3, KCNQ2 | TSHR 4366/4885ALDH1A1 2544/4885POLB 2130/4885 |
“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.