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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 SCHEMBL6658222 | 0.97 | FFAR3 (0.44) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetic Acid SCHEMBL28258691 | 0.88 | FFAR3 (0.41) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetone SCHEMBL28233575 | 0.88 | LMNA (0.40) | LMNAALDH1A1CYP3A4ALOX15HIF1A | |
| Acetic Acid SCHEMBL544816 | 0.87 | FFAR3 (0.54) | FFAR3LCKFYNLMNAALOX15 | |
| Acetic Acid SCHEMBL1791343 | 0.87 | — | — | |
| Acetic Acid SCHEMBL1615802 | 0.87 | FFAR3 (0.54) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetic Acid SCHEMBL8716653 | 0.87 | FFAR3 (0.54) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetic Acid SCHEMBL3244968 | 0.84 | FFAR3 (0.50) | FFAR3LCKFYNLMNA | |
| Acetic Acid SCHEMBL28087178 | 0.84 | FFAR3 (0.50) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetic Acid SCHEMBL7025787 | 0.84 | FFAR3 (0.50) | FFAR3LCKFYNLMNAALDH1A1 |
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-105622705-B | The method for extracting ursolic acid and 2a hydroxyursolicacids in Lagerstroemia speciosa | 深圳职业技术学院 | 2017-08-25 | — | — | CN | claimed |
| CN-105622705-A | Method for extracting ursolic acid and 2 alpha-hydroxyl ursolic acid from lagerstroemia speciosa | SHENZHEN POLYTECHNIC | 2016-06-01 | — | — | CN | claimed |
| CN-105622705-B | The method for extracting ursolic acid and 2a hydroxyursolicacids in Lagerstroemia speciosa | 深圳职业技术学院 | 2017-08-25 | — | — | CN | disclosed |
| CN-105622705-A | Method for extracting ursolic acid and 2 alpha-hydroxyl ursolic acid from lagerstroemia speciosa | SHENZHEN POLYTECHNIC | 2016-06-01 | — | — | CN | disclosed |