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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.40 |
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP7 | P09237 | 1/20 | 0.40 |
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 SCHEMBL7530111 | 0.89 | CES2 (0.41) | TSHRALDH1A1 | |
| SCHEMBL7549267 | 0.85 | CHRNB2 (0.46) | SMN1; SMN2MAPTL3MBTL1ABCC4LMNA | |
| Water SCHEMBL7548851 | 0.85 | CHRNB2 (0.46) | SMN1; SMN2MAPTL3MBTL1ABCC4LMNA | |
| Bicarbonate SCHEMBL21957729 | 0.83 | CES2 (0.43) | TSHRALDH1A1 | |
| Oxalic Acid SCHEMBL1052302 | 0.81 | CES2 (0.41) | TSHRALDH1A1 | |
| Oxalic Acid SCHEMBL1052305 | 0.79 | CES2 (0.40) | LMNATSHRALDH1A1ERCC5FEN1 | |
| Propionic Acid SCHEMBL21957786 | 0.79 | CES2 (0.44) | SMN1; SMN2MAPTL3MBTL1 | |
| Acetic Acid SCHEMBL7554425 | 0.79 | ALDH1A1 (0.37) | SMN1; SMN2LMNAHTTHPGDALDH1A1 | |
| Bicarbonate SCHEMBL21957730 | 0.78 | CHRM1 (0.43) | SMN1; SMN2MAPTL3MBTL1LMNATSHR | |
| SCHEMBL11734473 | 0.78 | CHRNB2 (0.35) | SMN1; SMN2LMNAHTTCHRNB2CHRNB4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0667366-B1 | Process for the production of aromatic polycarbonate | TEIJIN LTD (JP) | 2002-06-26 | — | — | EP | disclosed |
| US-5516878-A | CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD | TEIJIN LIMITED (JP) | 1996-05-14 | — | — | US | disclosed |
| EP-0667366-A2 | Process for the production of aromatic polycarbonate | TEIJIN LIMITED (JP) | 1995-08-16 | — | — | EP | disclosed |