Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.40 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| (Z)-1,2-Diphenylethene SCHEMBL29093047 | 0.93 | PTPN1 (0.43) | MAOBLMNAPTGS2CASP1PTPN1 | |
| SCHEMBL31276980 | 0.86 | PTGS2 (0.48) | ALDH1A1LMNAPTGS2CASP1PTPN1 | |
| SCHEMBL29194064 | 0.86 | PTGS2 (0.48) | ALDH1A1LMNAPTGS2CASP1PTPN1 | |
| SCHEMBL1870051 | 0.86 | PTGS2 (0.48) | ALDH1A1LMNAPTGS2CASP1PTPN1 | |
| SCHEMBL29991128 | 0.83 | PTPN1 (0.40) | MAOBALDH1A1PTGS2CASP1PTPN1 | |
| SCHEMBL29213550 | 0.82 | PKLR (0.46) | ALDH1A1PTGS2CASP1PTPN1PKLR | |
| SCHEMBL4887779 | 0.82 | PTGS2 (0.48) | ALDH1A1LMNAMAPK1PTGS2CASP1 | |
| Lithium Ion SCHEMBL3173871 | 0.82 | PTGS2 (0.48) | ALDH1A1LMNAMAPK1PTGS2CASP1 | |
| Potassium Ion SCHEMBL3400358 | 0.82 | PTGS2 (0.48) | ALDH1A1LMNAMAPK1PTGS2CASP1 | |
| SCHEMBL4889382 | 0.82 | PTGS2 (0.48) | ALDH1A1LMNAMAPK1PTGS2CASP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2021037-B1 | PROCESS FOR THE PREPARATION OF A READY-TO-USE DISINFECTANT | DU PONT (US) | 2010-09-01 | — | — | EP | disclosed |
| EP-2021037-A1 | PROCESS FOR THE PREPARATION OF A READY-TO-USE DISINFECTANT | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-02-11 | — | — | EP | disclosed |
| WO-2007133532-A1 | PROCESS FOR THE PREPARATION OF A READY-TO-USE DISINFECTANT | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-11-22 | — | — | WO | disclosed |
| US-20070264356-A1 | Process for the preparation of a ready-to-use disinfectant | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-11-15 | — | — | US | disclosed |