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 | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | DHODH | Q02127 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
| ▸ | CTSA | P10619 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | HNF4A | P41235 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | CLCN2 | P51788 | 1/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27614844 | 0.98 | CYP2A6 (0.54) | CYP2A6DHODHTSHRMEN1KMT2A | |
| Acetic Acid SCHEMBL27630446 | 0.96 | CYP2A6 (0.52) | CYP2A6DHODHTSHRMEN1KMT2A | |
| Acetic Acid SCHEMBL27431020 | 0.96 | CYP2A6 (0.52) | CYP2A6DHODHTSHRMEN1KMT2A | |
| Acetic Acid SCHEMBL27942328 | 0.96 | DHODH (0.55) | CYP2A6DHODHTSHRMEN1KMT2A | |
| Acetic Acid SCHEMBL28219393 | 0.96 | CYP2A6 (0.52) | CYP2A6DHODHTSHRMEN1KMT2A | |
| Acetic Acid SCHEMBL28224071 | 0.96 | CYP2A6 (0.52) | CYP2A6DHODHTSHRMEN1KMT2A | |
| Acetic Acid SCHEMBL27483321 | 0.95 | DHODH (0.50) | CYP2A6DHODHTSHRMEN1KMT2A | |
| Acetic Acid SCHEMBL28851530 | 0.95 | DHODH (0.50) | CYP2A6DHODHTSHRMEN1KMT2A | |
| Acetic Acid SCHEMBL28849590 | 0.95 | DHODH (0.50) | CYP2A6DHODHTSHRMEN1KMT2A | |
| Acetic Acid SCHEMBL27592460 | 0.95 | DHODH (0.50) | CYP2A6DHODHTSHRMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106167509-A | Rebaudioside A compositions and the method for purification rebaudioside A | 可口可乐公司 | 2016-11-30 | — | — | CN | disclosed |
| CN-101472487-B | Rebaudioside A compositions and methods for purifying same | COCA COLA CO | 2013-05-01 | — | — | CN | disclosed |
| CN-102770436-A | Rebaudioside A compositions and methods of purifying rebaudioside A | COCA COLA CO | 2012-11-07 | — | — | CN | disclosed |
| CN-101472487-A | Rebaudioside A compositions and methods for purifying same | COCA COLA CO (US) | 2009-07-01 | — | — | CN | disclosed |