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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CFD | P00746 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | GGT1 | P19440 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30453685 | 0.96 | KDM4E (0.46) | KDM4ETSHRALDH1A1GAARAB9A | |
| SCHEMBL336624 | 0.96 | KDM4E (0.46) | KDM4ETSHRALDH1A1GAARAB9A | |
| SCHEMBL5163600 | 0.87 | PIM1 (0.47) | KDM4ETSHRALDH1A1GAARAB9A | |
| SCHEMBL15766152 | 0.83 | CFD (0.42) | KDM4ETSHRALDH1A1GAARAB9A | |
| SCHEMBL15766886 | 0.83 | MAOB (0.40) | KDM4ETSHRALDH1A1GAARAB9A | |
| SCHEMBL15788600 | 0.79 | ACHE (0.41) | KDM4ETSHRALDH1A1GAARAB9A | |
| SCHEMBL15788597 | 0.79 | ACHE (0.41) | KDM4ETSHRALDH1A1GAARAB9A | |
| SCHEMBL11116534 | 0.78 | MAPK1 (0.44) | KDM4ETSHRALDH1A1GAARAB9A | |
| SCHEMBL7912820 | 0.78 | NCEH1 (0.47) | KDM4ETSHRALDH1A1GAAHSD17B10 | |
| SCHEMBL10500045 | 0.77 | MRGPRX4 (0.49) | KDM4ETSHRALDH1A1GAAHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8097404-B2 | Composition and method for cell permeabilization comprising N-octyl-β-D-glucopyranoside, sodium polyphosphates, rubidium chloride and/or lithium chloride for detecting living cells on a membrane | MILLIPORE CORPORATION (US) | 2012-01-17 | — | — | US | claimed |