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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CPT2 | P23786 | 1/20 | 0.32 |
| ▸ | CPT1A | P50416 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 0.32 |
| ▸ | GABRD | O14764 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.32 |
| ▸ | GABRE | P78334 | 2/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.32 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.32 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.32 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.32 |
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 SCHEMBL11535921 | 0.96 | CA1 (0.35) | CA1CPT2CPT1AGABRPGABRD | |
| Acetic Acid SCHEMBL1451846 | 0.96 | CA1 (0.39) | CA1CPT2CPT1AGABRPGABRD | |
| Acetic Acid SCHEMBL2012317 | 0.96 | CA1 (0.35) | CA1CPT2CPT1AGABRPGABRD | |
| Acetic Acid SCHEMBL10890984 | 0.96 | CA1 (0.35) | CA1CPT2CPT1AGABRPGABRD | |
| Acetic Acid SCHEMBL40807 | 0.96 | CA1 (0.39) | CA1CPT2CPT1AGABRPGABRD | |
| Acetic Acid SCHEMBL5251111 | 0.94 | CA1 (0.38) | CA1CPT2CPT1AGABRPGABRD | |
| Acetic Acid SCHEMBL2167990 | 0.86 | GABRR1 (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Acetic Acid SCHEMBL10585177 | 0.86 | GABRR1 (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Acetic Acid SCHEMBL20387 | 0.86 | GABRR1 (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Acetic Acid SCHEMBL7578630 | 0.84 | GABRR1 (0.38) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1940228-B1 | BAIT COMPOSITIONS COMPRISING AT LEAST ONE SPINOSYN AND ONE MOLLUSCICIDE | NEUDORFF W GMBH KG (DE) | 2015-07-29 | — | — | EP | claimed |
| US-7964205-B2 | Insecticide and molluscicide composition and methods | W. NEUDORFF GMBH KG (DE) | 2011-06-21 | — | — | US | claimed |
| US-20080003629-A1 | Device and method for detection of vitamins and nutritional minerals | MORRIS SHAYNE K | 2008-01-03 | — | — | US | claimed |
| US-20070148203-A1 | Insecticide and molluscicide composition and methods | W. NEUDORFF GMBH KG (DE) | 2007-06-28 | — | — | US | claimed |
| EP-1940228-B1 | BAIT COMPOSITIONS COMPRISING AT LEAST ONE SPINOSYN AND ONE MOLLUSCICIDE | NEUDORFF W GMBH KG (DE) | 2015-07-29 | — | — | EP | disclosed |
| US-7964205-B2 | Insecticide and molluscicide composition and methods | W. NEUDORFF GMBH KG (DE) | 2011-06-21 | — | — | US | disclosed |
| EP-1940228-A2 | BAIT COMPOSITIONS COMPRISING AT LEAST ONE SPINOSYN AND ONE MOLLUSCICIDE | W. Neudorff GmbH KG (DE) | 2008-07-09 | — | — | EP | disclosed |
| US-20080003629-A1 | Device and method for detection of vitamins and nutritional minerals | MORRIS SHAYNE K | 2008-01-03 | — | — | US | disclosed |
| US-20070148203-A1 | Insecticide and molluscicide composition and methods | W. NEUDORFF GMBH KG (DE) | 2007-06-28 | — | — | US | disclosed |
| WO-2007031565-A2 | BAIT COMPOSITIONS COMPRISING AT LEAST ONE SPINOSYN AND ONE MOLLUSCICIDE | W. NEUDORFF GMBH KG (DE) | 2007-03-22 | — | — | WO | disclosed |