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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.48 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.48 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | KLK1 | P06870 | 1/20 | 0.49 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2564929 | 0.92 | HCRTR1 (0.53) | HCRTR1L3MBTL1GLAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL5551 | 0.90 | HCRTR1 (0.51) | HCRTR1L3MBTL1GLAMEN1KMT2A | |
| SCHEMBL11630468 | 0.84 | HCRTR1 (0.49) | HCRTR1L3MBTL1GLAMEN1KMT2A | |
| Acetic Acid SCHEMBL18342648 | 0.83 | LMNA (0.53) | MEN1KMT2AMAPTLMNAHTT | |
| SCHEMBL11627837 | 0.83 | HCRTR1 (0.48) | HCRTR1L3MBTL1GLAMEN1KMT2A | |
| Acetic Acid SCHEMBL16815575 | 0.81 | HTT (0.54) | L3MBTL1GLAKMT2AKLK1KLK5 | |
| Ethenzamide SCHEMBL27612766 | 0.81 | MAPT (0.68) | HCRTR1L3MBTL1GLAMEN1KMT2A | |
| Ethenzamide SCHEMBL25624 | 0.81 | MAPT (0.68) | HCRTR1L3MBTL1GLAMEN1KMT2A | |
| 1,2-Diethoxybenzene SCHEMBL28398613 | 0.80 | L3MBTL1 (0.74) | HCRTR1L3MBTL1GLAMEN1KMT2A | |
| Ethenzamide SCHEMBL4379591 | 0.80 | MAPT (0.66) | HCRTR1L3MBTL1GLAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1830955-A | Method for synthesizing O-ethoxy phenyl formamidine acetate | UNIV SHANDONG (CN) | 2006-09-13 | — | — | CN | disclosed |