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 | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 7/20 | 0.82 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.82 |
| ▸ | RAF1 | P04049 | 2/20 | 0.82 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.82 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.82 |
| ▸ | AKT1 | P31749 | 2/20 | 0.82 |
| ▸ | AKT2 | P31751 | 2/20 | 0.82 |
| ▸ | KDR | P35968 | 2/20 | 0.82 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.82 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.82 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.82 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.82 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.82 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.82 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 SCHEMBL3187370 | 1.00 | IKBKB (0.82) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL8119310 | 0.91 | IKBKB (1.00) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL1325644 | 0.91 | IKBKB (1.00) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL30593591 | 0.91 | IKBKB (1.00) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL29363457 | 0.91 | IKBKB (1.00) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL1325643 | 0.91 | IKBKB (1.00) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL29786707 | 0.91 | IKBKB (1.00) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| Hydrochloric Acid SCHEMBL29359400 | 0.89 | IKBKB (0.96) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL17300373 | 0.79 | IKBKB (0.67) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL13719762 | 0.78 | ACHE (0.71) | IKBKBDYRK2RAF1RPS6KB1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8859625-B2 | Methods to prepare penta-1,4-dien-3-ones and substituted cyclohexanones and derivatives with antitumoral and antiparasitic properties, the compounds and their uses | UNIVERSIDADE BANDEIRANTE DE SAO PAULO-ACADEMIA, PAULISTA ANCHIETA S/C LTDA (BR) | 2014-10-14 | — | — | US | disclosed |
| EP-2054365-B1 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | UNIBAN UNIVERSIDADE BANDEIRANTE DE S O PAULO (BR) | 2014-09-24 | — | — | EP | disclosed |
| US-20100029763-A1 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | UNIVERSIDADE BANDEIRANTE DE SAO PAULO-ACADEMIA, PAULISTA ANCHIETA S/C LTDA (BR) | 2010-02-04 | — | — | US | 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-20100029763-A1 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | CASP3, CYP8B1, DERA | IKBKB 865/4885DYRK2 1925/4885RAF1 3691/4885 |
“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.