Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
The experimentally established mechanism targets of Allylbenzene. 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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Allylbenzene SCHEMBL18040305 | 1.00 | CNR2 (0.49) | CNR2MAOBCYP3A4ALDH1A1KDM4E | |
| Allylbenzene SCHEMBL11301260 | 0.98 | CNR2 (0.50) | CNR2MAOBCYP3A4ALDH1A1KDM4E | |
| Allylbenzene SCHEMBL44762 | 0.98 | CNR2 (0.50) | CNR2MAOBCYP3A4ALDH1A1KDM4E | |
| Allylbenzene SCHEMBL1681576 | 0.96 | CNR2 (0.49) | CNR2MAOBCYP3A4ALDH1A1KDM4E | |
| Allylbenzene SCHEMBL27464808 | 0.90 | CNR2 (0.49) | CNR2MAOBCYP3A4ALDH1A1KDM4E | |
| Allylbenzene SCHEMBL28108484 | 0.90 | CNR2 (0.46) | CNR2MAOBCYP3A4ALDH1A1KDM4E | |
| Allylbenzene SCHEMBL27290284 | 0.90 | CNR2 (0.51) | CNR2MAOBCYP3A4ALDH1A1KDM4E | |
| Allylbenzene SCHEMBL27636637 | 0.87 | MAOB (0.57) | CNR2MAOBCYP3A4ALDH1A1KDM4E | |
| Allylbenzene SCHEMBL318129 | 0.87 | MAOB (0.57) | CNR2MAOBCYP3A4ALDH1A1KDM4E | |
| Allylbenzene SCHEMBL8824163 | 0.87 | MAOB (0.57) | CNR2MAOBCYP3A4ALDH1A1KDM4E |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101778568-A | aqueous microemulsions containing organic insecticide compounds | BASF SE | 2010-07-14 | — | — | CN | claimed |
| CN-101415326-A | Aqueous microemulsions containing pyrethroid compounds | BASF AG (DE) | 2009-04-22 | — | — | CN | claimed |
| EP-3064065-A1 | ANTISEPTIC COMPOSITIONS AND METHODS | 3M Innovative Properties Company (US) | 2016-09-07 | — | — | EP | disclosed |
| CN-1878536-B | Antimicrobial compositions and methods | 3M INNOVATIVE PROPERTIES CO | 2014-11-26 | — | — | CN | disclosed |
| CN-102119079-B | Biocompatible hydrophilic compositions | 3M INNOVATIVE PROPERTIES CO | 2014-09-10 | — | — | CN | disclosed |
| CN-103154345-A | Dimensionally stable nonwoven fibrous webs, and methods of making and using the same | 3M INNOVATIVE PROPERTIES CO | 2013-06-12 | — | — | CN | disclosed |
| CN-102970995-A | Stable antimicrobial compositions and methods | 3M INNOVATIVE PROPERTIES CO | 2013-03-13 | — | — | CN | disclosed |
| CN-101951887-B | Liquid disinfectant composition containing iodine and sugar and/or sugar alcohol | 3M INNOVATIVE PROPERTIES CO | 2013-03-13 | — | — | CN | disclosed |
| CN-102908362-A | Antiseptic compositions and methods of use | 3M INNOVATIVE PROPERTIES CO | 2013-02-06 | — | — | CN | disclosed |
| CN-101874063-B | Methods for forming microporous and antimicrobial articles | 3M INNOVATIVE PROPERTIES CO | 2013-01-02 | — | — | CN | disclosed |
| CN-101048064-B | Antimicrobial compositions and methods of use | 3M INNOVATIVE PROPERTIES CO | 2012-11-14 | — | — | CN | disclosed |
| CN-101137359-A | Methods of treating ear infections | 3M INNOVATIVE PROPERTIES CO (US) | 2008-03-05 | — | — | CN | disclosed |
| CN-101048064-A | Antimicrobial compositions and methods of use | 3M INNOVATIVE PROPERTIES CO (US) | 2007-10-03 | — | — | CN | disclosed |
| CN-101048135-A | Phenolic antiseptic compositions and methods of use | 3M INNOVATIVE PROPERTIES CO (US) | 2007-10-03 | — | — | CN | disclosed |
| CN-1922317-A | Method and kit for nucleic acid isolation using microfluidic device and concentration step | 3M INNOVATIVE PROPERTIES CO (US) | 2007-02-28 | — | — | CN | disclosed |
| CN-1922318-A | Methods for nucleic acid isolation and kits using solid phase material | 3M INNOVATIVE PROPERTIES CO (US) | 2007-02-28 | — | — | CN | disclosed |
| CN-1918291-A | Methods and kits for isolating nucleic acids using microfluidic devices and sedimenting reagents | 3M INNOVATIVE PROPERTIES CO (US) | 2007-02-21 | — | — | CN | disclosed |
| CN-1906295-A | Variable valve apparatus and methods | 3M INNOVATIVE PROPERTIES CO (US) | 2007-01-31 | — | — | CN | disclosed |
| CN-1878536-A | Antimicrobial compositions and methods | 3M INNOVATIVE PROPERTIES CO (US) | 2006-12-13 | — | — | CN | disclosed |
| CN-1870912-A | Concentrated antimicrobial compositions and methods | 3M INNOVATIVE PROPERTIES CO (US) | 2006-11-29 | — | — | CN | disclosed |