Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acrolein. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Acrylic Acid SCHEMBL10985441 | 0.91 | LMNA (0.59) | — | |
| Acrolein SCHEMBL6258972 | 0.89 | — | — | |
| Butadiene SCHEMBL716219 | 0.85 | — | — | |
| Methacrylic Acid SCHEMBL3005374 | 0.84 | ALDH1A1 (0.47) | — | |
| Acrolein SCHEMBL27387012 | 0.83 | — | — | |
| Acrolein SCHEMBL19970660 | 0.81 | — | — | |
| Butadiene SCHEMBL3329730 | 0.81 | FFAR3 (0.54) | — | |
| Butadiene SCHEMBL22193911 | 0.81 | FFAR3 (0.54) | — | |
| Butadiene SCHEMBL11356506 | 0.81 | — | — | |
| Acetic Acid SCHEMBL10940719 | 0.81 | FFAR3 (0.64) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9949968-B2 | Diarylalkylamine REV-ERB antagonists and their use as medicaments | FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) | 2018-04-24 | — | — | US | disclosed |
| EP-3055293-B1 | DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS | FOND ST ITALIANO TECNOLOGIA (IT) | 2017-12-06 | — | — | EP | disclosed |
| US-20170136009-A1 | DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS | FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) | 2017-05-18 | — | — | US | disclosed |
| US-9611245-B2 | Diarylalkylamine REV-ERB antagonists and their use as medicaments | FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) | 2017-04-04 | — | — | US | disclosed |
| US-20160237057-A1 | DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS | FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) | 2016-08-18 | — | — | US | disclosed |
| EP-1412077-B8 | FLOW REACTORS FOR CHEMICAL CONVERSIONS WITH HETERGENEOUOS CATALYSTS | BP CORP NORTH AMERICA INC (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-1412077-A1 | FLOW REACTORS FOR CHEMICAL CONVERSIONS WITH HETERGENEOUOS CATALYSTS | BP Corporation North America Inc. (US) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003011449-A1 | FLOW REACTORS FOR CHEMICAL CONVERSIONS WITH HETERGENEOUOS CATALYSTS | BP CORPORATION NORTH AMERICA INC. (US) | 2003-02-13 | — | — | WO | disclosed |