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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.42 |
| ▸ | PTGS1 known ✓ | P23219 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.32 |
| ▸ | LOXL4 | Q96JB6 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4291668 | 0.87 | PTGS1 (0.43) | MAPTKDM4EALOX15ALOX12CA12 | |
| SCHEMBL1425325 | 0.86 | PTGS1 (0.42) | MAPTKDM4EALOX15ALOX12CA12 | |
| SCHEMBL9616973 | 0.79 | LOX (0.39) | MAPTKDM4EALOX15PTGS1LMNA | |
| SCHEMBL30834844 | 0.70 | POLB (0.35) | MAPTKDM4EALOX15ALOX12CA12 | |
| SCHEMBL14446344 | 0.69 | LOX (0.43) | MAPTPTGS1LMNAABCB11LOX | |
| SCHEMBL13415787 | 0.67 | LMNA (0.45) | MAPTKDM4EALOX15PTGS1LMNA | |
| SCHEMBL9616703 | 0.67 | LOX (0.41) | MAPTPTGS1LMNAABCB11LOX | |
| SCHEMBL19829483 | 0.64 | LOX (0.39) | MAPTPTGS1LMNAABCB11LOX | |
| SCHEMBL2784650 | 0.64 | LMNA (0.40) | MAPTPTGS1LMNAABCB11LOX | |
| Metamizole SCHEMBL24996 | 0.61 | ALOX15 (1.00) | MAPTKDM4EALOX15ALOX12CA12 |
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-9579299-B2 | CNS pharmaceutical compositions and methods of use | TARGIA PHARMACEUTICALS (IL) | 2017-02-28 | — | — | US | disclosed |
| WO-2016027259-A1 | CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | TARGIA PHARMACEUTICALS (IL) | 2016-02-25 | — | — | WO | disclosed |
| US-20140256709-A1 | CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | TARGIA PHARMACEUTICALS (IL) | 2014-09-11 | — | — | US | disclosed |
| US-8729070-B2 | CNS pharmaceutical compositions and methods of use | TARGIA PHARMACEUTICALS (IL) | 2014-05-20 | — | — | US | disclosed |
| EP-2012763-B1 | PHARMACEUTICAL COMBINATION COMPRISING 3- (3-DIMETHYLAMIN0-1-ETHYL-2-METHYL-PR0PYL) -PHENOL AND AN NSAID | GRUENENTHAL GMBH (DE) | 2011-03-23 | — | — | EP | disclosed |
| US-20110054038-A1 | CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | TARGIA PHARMACEUTICALS (IL) | 2011-03-03 | — | — | US | disclosed |
| EP-2254420-A2 | CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | Targia Pharmaceuticals (IL) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009104080-A2 | CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | TARGIA PHARMACEUTICALS (IL) | 2009-08-27 | — | — | WO | disclosed |