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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HNF4A | P41235 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL2249411 | 0.91 | ALDH1A1 (0.37) | SMN1; SMN2KMT2AMEN1BCAT2BACE1 | |
| SCHEMBL2642874 | 0.91 | ALDH1A1 (0.37) | SMN1; SMN2KMT2AMEN1BCAT2BACE1 | |
| Acetic Acid SCHEMBL4292892 | 0.90 | KMT2A (0.37) | SMN1; SMN2KMT2AMEN1BCAT2HSP90AA1 | |
| SCHEMBL56503 | 0.89 | ALDH1A1 (0.38) | SMN1; SMN2KMT2AMEN1BCAT2BACE1 | |
| SCHEMBL29353415 | 0.89 | ALDH1A1 (0.38) | SMN1; SMN2KMT2AMEN1BCAT2BACE1 | |
| SCHEMBL18096530 | 0.87 | ALDH1A1 (0.37) | SMN1; SMN2KMT2AMEN1BCAT2BACE1 | |
| Hydrochloric Acid SCHEMBL705644 | 0.87 | ALDH1A1 (0.37) | SMN1; SMN2KMT2AMEN1BCAT2BACE1 | |
| Dimethylamine SCHEMBL25241553 | 0.84 | ALDH1A1 (0.34) | SMN1; SMN2KMT2AMEN1BACE1ALDH1A1 | |
| SCHEMBL15546288 | 0.84 | CYP2A6 (0.39) | SMN1; SMN2KMT2AMEN1BACE1ALDH1A1 | |
| SCHEMBL31379078 | 0.82 | CYP2A6 (0.38) | SMN1; SMN2KMT2AMEN1MAPTBACE1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8334059-B2 | Organic electroluminescence device | UDC IRELAND LIMITED (IE) | 2012-12-18 | — | — | US | disclosed |
| US-20090146556-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE | FUJIFILM CORPORATION (JP) | 2009-06-11 | — | — | US | disclosed |