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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 6/20 | 0.43 |
| ▸ | OXER1 | Q8TDS5 | 7/20 | 0.40 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.39 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.39 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.37 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PTGIS | Q16647 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6244092 | 0.91 | TBXAS1 (0.50) | TBXAS1OXER1GUCY1A1GUCY1B1MAPT | |
| SCHEMBL7073068 | 0.86 | TBXAS1 (0.44) | TBXAS1OXER1MAPTALDH1A1CYP2D6 | |
| Formamide SCHEMBL28077846 | 0.85 | TBXAS1 (0.43) | TBXAS1OXER1GUCY1A1GUCY1B1MAPT | |
| SCHEMBL8127371 | 0.76 | TBXAS1 (0.55) | TBXAS1ALDH1A1CYP2D6 | |
| SCHEMBL14339188 | 0.72 | LTA4H (0.35) | TBXAS1MAPTALDH1A1 | |
| Acetic Acid SCHEMBL8583606 | 0.70 | ALDH1A1 (0.63) | TBXAS1PTGS1PTGS2MAPTALDH1A1 | |
| Acetic Acid SCHEMBL27798118 | 0.69 | ALDH1A1 (0.61) | TBXAS1PTGS1PTGS2MAPTALDH1A1 | |
| Acetic Acid SCHEMBL27621705 | 0.69 | ALDH1A1 (0.61) | TBXAS1PTGS1PTGS2MAPTALDH1A1 | |
| Acetic Acid SCHEMBL27746838 | 0.68 | MAPT (0.43) | MAPTALDH1A1 | |
| SCHEMBL25515658 | 0.68 | KDM4E (0.38) | MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105753862-A | 3-aryl indolizine acetate derivative and preparation method and application thereof | 绍兴文理学院 | 2016-07-13 | — | — | CN | disclosed |
| CN-105753862-A | 3-aryl indolizine acetate derivative and preparation method and application thereof | 绍兴文理学院 | 2016-07-13 | — | — | CN | disclosed |