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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 SCHEMBL5474548 | 0.97 | LMNA (0.38) | LMNABLMPTGS1PDE4ASLC6A6 | |
| Acetone SCHEMBL28677361 | 0.92 | LMNA (0.41) | LMNABLMPTGS1PDE4ASLC6A6 | |
| Pyruvate SCHEMBL28572108 | 0.90 | LMNA (0.36) | LMNABLMPTGS1PDE4ASLC6A6 | |
| Bicarbonate SCHEMBL9388530 | 0.88 | LMNA (0.43) | LMNABLMPTGS1PDE4ASLC6A6 | |
| Acetamide SCHEMBL27781632 | 0.86 | LMNA (0.43) | LMNABLMPTGS1PDE4ASLC6A6 | |
| Methacrylic Acid SCHEMBL2024070 | 0.85 | TGFBR1 (0.35) | LMNABLMPTGS1PDE4ASLC6A6 | |
| Methyl Alcohol SCHEMBL28253720 | 0.85 | — | — | |
| SCHEMBL249947 | 0.85 | LMNA (0.50) | LMNABLMPTGS1PDE4ASLC6A6 | |
| SCHEMBL827 | 0.85 | — | — | |
| Acetic Acid SCHEMBL5474551 | 0.84 | CA1 (0.45) | LMNABLMPTGS1PDE4ASLC6A6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0422120-A4 | POLYMERIZABLE SURFACTANT | — | 1991-08-21 | — | — | EP | claimed |
| EP-0422120-A1 | POLYMERIZABLE SURFACTANT | PPG INDUSTRIES, INC. (US) | 1991-04-17 | — | — | EP | claimed |
| WO-1989012618-A1 | POLYMERIZABLE SURFACTANT | PPG INDUSTRIES, INC. (US) | 1989-12-28 | — | — | WO | claimed |
| US-4309363-A | PYROLYTIC DECOMPOSITION OF METAL ISETHIONATE CARBOXYLATES TO METAL VINYLSULFONATES | TEXACO INC. (US) | 1982-01-05 | — | — | US | claimed |
| CN-1054982-A | The purine that replaces, its preparation method and as the purposes of antiviral drug | HOECHST AG (DE) | 1991-10-02 | — | — | CN | disclosed |