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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL955006 | 0.65 | CYP1A2 (0.52) | CYP1A2 | |
| SCHEMBL149923 | 0.61 | — | — | |
| Acetic Acid SCHEMBL27647778 | 0.59 | — | — | |
| Acetic Acid SCHEMBL9194364 | 0.59 | CYP1A2 (0.52) | CYP1A2FFAR3LCKFYN | |
| Acetic Acid SCHEMBL133659 | 0.56 | — | — | |
| Acetic Acid SCHEMBL6299804 | 0.56 | FFAR3 (0.78) | FFAR3LCKFYN | |
| Acetic Acid SCHEMBL895797 | 0.56 | — | — | |
| Acetic Acid SCHEMBL584739 | 0.56 | — | — | |
| Acetic Acid SCHEMBL6049138 | 0.56 | FFAR3 (0.78) | FFAR3LCKFYN | |
| Acetic Acid SCHEMBL7897388 | 0.56 | FFAR3 (0.78) | FFAR3LCKFYN |
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-8425702-B2 | Precursor of an explosive composition including at least one ionic liquid and a method of desensitizing an explosive composition | ALLIANT TECHSYSTEMS INC. (US) | 2013-04-23 | — | — | US | claimed |
| US-20120024437-A1 | PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION | ALLIANT TECHSYSTEMS INC. (US) | 2012-02-02 | — | — | US | claimed |
| US-20080251169-A1 | IONIC LIQUID, A METHOD OF SYNTHESIZING AN IONIC LIQUID, A PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID, AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION | ALLIANT TECHSYSTEMS INC. (US) | 2008-10-16 | — | — | US | claimed |
| US-8425702-B2 | Precursor of an explosive composition including at least one ionic liquid and a method of desensitizing an explosive composition | ALLIANT TECHSYSTEMS INC. (US) | 2013-04-23 | — | — | US | disclosed |
| US-20120024437-A1 | PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION | ALLIANT TECHSYSTEMS INC. (US) | 2012-02-02 | — | — | US | disclosed |
| US-8012277-B2 | Mixture with activator; desentization melt | ALLIANT TECHSYSTEMS INC. (US) | 2011-09-06 | — | — | US | disclosed |
| US-20080251169-A1 | IONIC LIQUID, A METHOD OF SYNTHESIZING AN IONIC LIQUID, A PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID, AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION | ALLIANT TECHSYSTEMS INC. (US) | 2008-10-16 | — | — | US | disclosed |