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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 3/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 SCHEMBL5870799 | 0.86 | — | — | |
| Acetic Acid SCHEMBL5819597 | 0.86 | FFAR3 (0.50) | FFAR3LCKFYNHDAC8HDAC3 | |
| Acetic Acid SCHEMBL2785265 | 0.86 | — | — | |
| Acetic Acid SCHEMBL4574765 | 0.83 | FFAR3 (0.47) | FFAR3LCKFYNHDAC8HDAC3 | |
| Acetic Acid SCHEMBL31228715 | 0.83 | FFAR3 (0.54) | FFAR3LCKFYNHDAC8HDAC3 | |
| Acetic Acid SCHEMBL146128 | 0.83 | — | — | |
| Hexane SCHEMBL2705931 | 0.81 | AKR1B1 (0.48) | CES1ALDH1A1TDP1ALOX15HSP90AA1 | |
| Acetic Acid SCHEMBL4970317 | 0.80 | — | — | |
| Acetic Acid SCHEMBL10644131 | 0.80 | FFAR3 (0.50) | FFAR3LCKFYNHDAC8HDAC3 | |
| Acetic Acid SCHEMBL5066150 | 0.80 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0868438-B1 | SELECTIVE ALKYLATIONS OF CYCLODEXTRINS AT THE LEVELS OF MINIMAL EFFECTIVE BASICITY | ROQUETTE FRERES (FR) | 2005-03-09 | — | — | EP | disclosed |
| EP-0868438-A4 | SELECTIVE ALKYLATIONS OF CYCLODEXTRINS AT THE LEVELS OF MINIMAL EFFECTIVE BASICITY | PITHA JOSEF (US) | 2001-02-07 | — | — | EP | disclosed |
| US-6001821-A | FUSING 1,4 DIOXANE RIGHTS TO GLUCOPYRANOSYL RESIDUES | ROQUETTE FRERES (FR) | 1999-12-14 | — | — | US | disclosed |
| US-5935941-A | Alkylations of cyclodextrins leading to derivatives which have a ridgidly extended cavity | ROQUETTE FRERES (FR) | 1999-08-10 | — | — | US | disclosed |
| EP-0868438-A1 | SELECTIVE ALKYLATIONS OF CYCLODEXTRINS AT THE LEVELS OF MINIMAL EFFECTIVE BASICITY | Pitha, Josef (US) | 1998-10-07 | — | — | EP | disclosed |
| EP-0536318-B1 | REGIOSELECTIVE SUBSTITUTIONS IN CYCLODEXTRINS | US HEALTH (US) | 1997-09-10 | — | — | EP | disclosed |
| WO-1997022630-A1 | SELECTIVE ALKYLATIONS OF CYCLODEXTRINS AT THE LEVELS OF MINIMAL EFFECTIVE BASICITY | PITHA JOSEF (US) | 1997-06-26 | — | — | WO | disclosed |
| EP-0536318-A4 | REGIOSELECTIVE SUBSTITUTIONS IN CYCLODEXTRINS | US HEALTH (US) | 1993-11-18 | — | — | EP | disclosed |
| EP-0536318-A1 | REGIOSELECTIVE SUBSTITUTIONS IN CYCLODEXTRINS. | US HEALTH (US) | 1993-04-14 | — | — | EP | disclosed |
| US-5173481-A | Condensing an excess of a cyclodextrin with an expoxide under alkaline conditions | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1992-12-22 | — | — | US | disclosed |
| WO-1992000331-A1 | REGIOSELECTIVE SUBSTITUTIONS IN CYCLODEXTRINS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) | 1992-01-09 | — | — | WO | disclosed |