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.
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 | |
|---|---|---|---|---|
| Water SCHEMBL9850767 | 0.96 | — | — | |
| SCHEMBL11429717 | 0.92 | — | — | |
| Zinc Ion SCHEMBL7157606 | 0.92 | — | — | |
| SCHEMBL9178073 | 0.92 | — | — | |
| Zinc Ion SCHEMBL8622636 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL28571578 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL7008604 | 0.67 | — | — | |
| SCHEMBL48308 | 0.67 | — | — | |
| SCHEMBL11338442 | 0.67 | — | — | |
| Metam SCHEMBL22057 | 0.67 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8325108-A | — | — | None | — | — | JP | disclosed |
| US-7091247-B2 | Biphenyl compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-08-15 | — | — | US | disclosed |
| EP-1558079-A1 | FAST DISSOLVING SOLID ORTHO-PHTHALIC ALDEHYDE FORMULATIONS | DOW GLOBAL TECHNOLOGIES INC. (US) | 2005-08-03 | — | — | EP | disclosed |
| US-20040106792-A1 | Biphenyl compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-06-03 | — | — | US | disclosed |
| WO-2004032627-A1 | FAST DISSOLVING SOLID ORTHO-PHTHALIC ALDEHYDE FORMULATIONS | DOW GLOBAL TECHNOLOGIES INC. (US) | 2004-04-22 | — | — | WO | disclosed |
| US-20040071592-A1 | Fast dissolving solid ortho-phthalic aldehyde formulations | ANNIS IOANA (US) | 2004-04-15 | — | — | US | disclosed |
| US-20030207863-A1 | Preventives and remedies for central nervous system diseases | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2003-11-06 | — | — | US | disclosed |
| EP-1331010-A1 | PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES | Takeda Chemical Industries, Ltd. (JP) | 2003-07-30 | — | — | EP | disclosed |
| EP-1295867-A1 | BIPHENYL COMPOUND | Takeda Chemical Industries, Ltd. (JP) | 2003-03-26 | — | — | EP | disclosed |
| US-6407116-B1 | 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS | TAKEDA CHEMICAL INDUSTRIES, INC. (JP) | 2002-06-18 | — | — | US | disclosed |
| EP-1026160-A1 | NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS | Takeda Chemical Industries, Ltd. (JP) | 2000-08-09 | — | — | EP | disclosed |
| JP-H08325108-A | FUMIGATION OF SOIL FUMIGANT | NIPPON KAYAKU CO LTD | 1996-12-10 | — | — | JP | disclosed |
| US-4218432-A | Coloring agent and a composition including the same for coloring toilet bowl flushing water | YAMAMOTO KAGAKU GOSEI CO., LTD. (JP) | 1980-08-19 | — | — | US | disclosed |