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 | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 7/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 6/20 | 0.51 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.45 |
| ▸ | MET | P08581 | 1/20 | 0.44 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.44 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.44 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.44 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.44 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.44 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.44 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15676337 | 0.75 | ALOX15 (0.41) | ALOX15ALOX12XDHPFKFB3PIK3CA | |
| SCHEMBL11151168 | 0.69 | ALOX15 (0.55) | ALOX15ALOX12XDHPFKFB3PIK3CA | |
| SCHEMBL10562974 | 0.68 | ALOX15 (1.00) | ALOX15ALOX12XDHPFKFB3PIK3CA | |
| SCHEMBL29951632 | 0.67 | PTPN1 (0.56) | ALOX15ALOX12XDHPFKFB3PIK3CA | |
| SCHEMBL1306154 | 0.67 | PTPN1 (0.56) | ALOX15ALOX12XDHPFKFB3PIK3CA | |
| SCHEMBL234354 | 0.66 | ALOX15 (0.75) | ALOX15ALOX12XDHPFKFB3PIK3CA | |
| SCHEMBL1304537 | 0.65 | ATP1A1 (0.52) | ALOX15ALOX12XDHPFKFB3PIK3CA | |
| Acetone SCHEMBL28847116 | 0.65 | SELL (0.55) | ALOX15ALOX12KDM4EMAPTMEN1 | |
| Acetic Acid SCHEMBL2160665 | 0.65 | SELL (0.50) | ALOX12KDM4EMAPTMEN1KMT2A | |
| Pyrogallol SCHEMBL8433563 | 0.64 | CA1 (0.67) | ALOX15ALOX12KDM4EMAPTSMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0094769-A1 | Preparing 7-alkoxybenzofurans and intermediates used therein | THE UPJOHN COMPANY (US) | 1983-11-23 | — | — | EP | claimed |
| EP-0094769-B1 | PREPARING 7-ALKOXYBENZOFURANS AND INTERMEDIATES USED THEREIN | THE UPJOHN COMPANY (US) | 1986-11-26 | — | — | EP | disclosed |
| US-4459420-A | Pyrogallol synthesis of anti-atherogenic furochromones | THE UPJOHN COMPANY (US) | 1984-07-10 | — | — | US | disclosed |
| US-4459420-A | Pyrogallol synthesis of anti-atherogenic furochromones | THE UPJOHN COMPANY (US) | 1984-07-10 | — | — | US | disclosed |
| US-4434295-A | Anti-atherosclerotic 6,7-dihydro-7,7-disubstituted-khellin analogs | THE UPJOHN COMPANY (US) | 1984-02-28 | — | — | US | disclosed |
| EP-0099172-A1 | 6,7-Dihydro-7,7-disubstituted-khellins | THE UPJOHN COMPANY (US) | 1984-01-25 | — | — | EP | disclosed |
| EP-0094769-A1 | Preparing 7-alkoxybenzofurans and intermediates used therein | THE UPJOHN COMPANY (US) | 1983-11-23 | — | — | EP | disclosed |