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 | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL600328 | 0.94 | — | — | |
| SCHEMBL29446 | 0.94 | — | — | |
| SCHEMBL442803 | 0.94 | — | — | |
| SCHEMBL18824999 | 0.90 | HCAR2 (0.64) | HCAR2MAPTALDH1A1CA12CA1 | |
| Acrylic Acid SCHEMBL11798847 | 0.87 | HCAR2 (0.55) | HCAR2MAPTALDH1A1CA12CA1 | |
| Diethyl Maleate SCHEMBL25205582 | 0.83 | HCAR2 (0.77) | HCAR2MAPTALDH1A1CA12CA1 | |
| Acrylamide SCHEMBL11422172 | 0.82 | HCAR2 (0.44) | HCAR2MAPTALDH1A1CA12CA1 | |
| SCHEMBL11119402 | 0.81 | NPSR1 (0.46) | HCAR2MAPTALDH1A1CA12CA1 | |
| SCHEMBL17135006 | 0.81 | HCAR2 (0.42) | HCAR2MAPTALDH1A1CA12CA1 | |
| Benzoic Acid SCHEMBL8431575 | 0.80 | MAPT (0.52) | HCAR2MAPTALDH1A1CA12CA1 |
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-6001213-A | TREATING BONDING SURFACE WITH ADHESIVE PROMOTER AND FLUID CARRIER SELECTED FROM ACETIC ESTERS, BENZOIC DIESTRS, AND PHTHALIC ESTERS HAVING UNSATURATED BOND; APPLYING ADHESIVE ONTO SURFACE; INCORPORATING CARRIER INTO ADHESIVE | LOCTITE CORPORATION (US) | 1999-12-14 | — | — | US | disclosed |
| US-5792303-A | COMBINATION OF A FLUID CARRIER THAT REMAINS SUBSTANTIALLY PRESENT DURING THE CURING OF AN ADHESIVE COMPOSITION AND AN ACTIVE COMPONENT CAPABLE OF PROMOTING THE CURE AND/OR ENHANCING ADHESION WHILE BEING MISCIBLE IN THE FLUID CARRIER | LOCTITE CORPORATION (US) | 1998-08-11 | — | — | US | disclosed |
| US-5567266-A | A CARRIER, AN ESTER WITH ADHESIVE PROMOTER AND AMINE COMPOUND | LOCTITE CORPORATION (US) | 1996-10-22 | — | — | US | disclosed |