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 | |
|---|---|---|---|---|
| ▸ | TLR4 known ✓ | O00206 | 5/20 | 0.73 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | FPR1 | P21462 | 2/20 | 0.36 |
| ▸ | FPR2 | P25090 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27900565 | 0.89 | TLR4 (0.73) | TLR4KMT2AMAPTLMNAKDM4E | |
| SCHEMBL6224780 | 0.89 | TLR4 (0.58) | TLR4KMT2ALMNAGAACA12 | |
| SCHEMBL2001649 | 0.88 | TLR4 (0.71) | TLR4KMT2AMAPTLMNAKDM4E | |
| SCHEMBL2001651 | 0.88 | TLR4 (0.71) | TLR4KMT2AMAPTLMNAKDM4E | |
| SCHEMBL872114 | 0.86 | TLR4 (0.81) | TLR4KMT2AMAPTLMNATRPV1 | |
| SCHEMBL871582 | 0.85 | TLR4 (1.00) | TLR4KMT2ALMNATRPV1MRGPRX1 | |
| SCHEMBL872918 | 0.77 | TLR4 (0.58) | TLR4LMNAGAAHTTMRGPRX1 | |
| SCHEMBL28159349 | 0.77 | TLR4 (0.58) | TLR4LMNAGAAHTTMRGPRX1 | |
| SCHEMBL6229405 | 0.77 | TLR4 (0.58) | TLR4KMT2AMAPTMRGPRX1NPC1 | |
| SCHEMBL27592236 | 0.76 | TLR4 (0.56) | TLR4KMT2AMAPTLMNACA12 |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120077856-A1 | PHARMACEUTICAL PRODUCT | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2012-03-29 | — | — | US | disclosed |
| EP-2366389-A1 | Severe sepsis preventive therapeutic agent | Takeda Pharmaceutical Company Limited (JP) | 2011-09-21 | — | — | EP | disclosed |
| US-20110184034-A1 | Severe sepsis preventive therapeutic agent | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-07-28 | — | — | US | disclosed |
| US-7960416-B2 | Oil-in-water emulsion of a 1-carboxylate-6-arylsulfamoyl cyclohexene and synthetic and naturally occurring phospholipids; nitric oxide or cytokine prodution inhibitors; cardiovascular disorders, autoimmune dieseases, septic shock; improved stability during autoclave sterilization | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-06-14 | — | — | US | disclosed |
| EP-2260869-A2 | Pharmaceutical product | Takeda Pharmaceutical Company Limited (JP) | 2010-12-15 | — | — | EP | disclosed |
| EP-2255785-A2 | Stable emulsion composition | Takeda Pharmaceutical Company Limited (JP) | 2010-12-01 | — | — | EP | disclosed |
| CN-1416341-B | Stable emulsion compositions | TAKEDA CHEMICAL INDUSTRIES LTD | 2010-05-05 | — | — | CN | disclosed |
| US-20100016381-A1 | STABLE EMULSION COMPOSITION | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-21 | — | — | US | disclosed |
| US-20090105314-A1 | Pharmaceutical Agent | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-04-23 | — | — | US | disclosed |
| US-20090062355-A1 | Pharmaceutical Product | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-03-05 | — | — | US | disclosed |
| US-20040063685-A1 | Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-04-01 | — | — | US | disclosed |
| US-20030216475-A1 | Pharmaceutical composition | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2003-11-20 | — | — | US | disclosed |
| US-20030212114-A1 | Stable emulsion compositions | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2003-11-13 | — | — | US | disclosed |
| EP-1348443-A1 | COMBINATION DRUGS | Takeda Chemical Industries, Ltd. (JP) | 2003-10-01 | — | — | EP | disclosed |
| EP-1310248-A1 | PHARMACEUTICAL COMPOSITION | Takeda Chemical Industries, Ltd. (JP) | 2003-05-14 | — | — | EP | disclosed |
| CN-1416341-A | Stable emulsion compsns | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-07 | — | — | CN | disclosed |
| WO-2003013513-A1 | STABLE EMULSION COMPOSITION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-02-20 | — | — | WO | disclosed |
| US-6495604-B1 | SUCH AS D-ETHYL-6-(N-(2,4-DIFLUOROPHENYL)SULFAMOYL)-1-CYCLOHEXENE-1-CARBOXYLATE FOR INHIBITING NITRIC OXIDE AND/OR CYTOKINE PRODUCTION; FOR PREVENTING OR TREATING CARDIAC DISEASE, AUTOIMMUNE DISEASE OR SEPTIC SHOCK | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-12-17 | — | — | US | disclosed |
| EP-1254659-A1 | STABLE EMULSION COMPOSITIONS | Takeda Chemical Industries, Ltd. (JP) | 2002-11-06 | — | — | EP | disclosed |
| EP-1063228-A1 | CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE | Takeda Chemical Industries, Ltd. (JP) | 2000-12-27 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040063685-A1 | Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents | ELANE, MMP8, SERPINC1 | TLR4 567/4885CA12 1602/4885CA1 3092/4885 |
| US-20030212114-A1 | Stable emulsion compositions | AHR, NR1H2, NR1H3 | TLR4 2050/4885CA12 4162/4885CA1 3735/4885 |
| US-20090105314-A1 | Pharmaceutical Agent | TLR1, TLR6, TPMT | TLR4 8/4885CA12 534/4885CA1 297/4885 |
| US-20090062355-A1 | Pharmaceutical Product | ATF1, ATF4, TLR8 | TLR4 13/4885CA12 2562/4885CA1 3024/4885 |
| US-20110184034-A1 | Severe sepsis preventive therapeutic agent | TLR1, TLR5, TLR4 | TLR4 3/4885CA12 3382/4885CA1 4145/4885 |
| US-20030216475-A1 | Pharmaceutical composition | ARRB1, ADRA1B, ADRB1 | TLR4 2126/4885CA12 1647/4885CA1 2471/4885 |
| US-20120077856-A1 | PHARMACEUTICAL PRODUCT | ATF1, ATF4, TLR8 | TLR4 13/4885CA12 2562/4885CA1 3024/4885 |
| US-20100016381-A1 | STABLE EMULSION COMPOSITION | LIPA, PHOSPHO1, CEL | TLR4 3789/4885CA12 1684/4885CA1 1629/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.