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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 3/20 | 1.00 |
| ▸ | PTPN7 | P35236 | 2/20 | 1.00 |
| ▸ | PTPRC | P08575 | 1/20 | 0.76 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.76 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.76 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.76 |
| ▸ | PTPRJ | Q12913 | 1/20 | 0.76 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.76 |
| ▸ | DUSP26 | Q9BV47 | 1/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | GLO1 | Q04760 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31186847 | 1.00 | PTPN11 (1.00) | PTPN11PTPN7PTPRCALOX15PTPN1 | |
| SCHEMBL391667 | 1.00 | PTPN11 (1.00) | PTPN11PTPN7PTPRCALOX15PTPN1 | |
| SCHEMBL14154415 | 0.86 | PTPN11 (1.00) | PTPN11PTPN7PTPRCALOX15PTPN1 | |
| SCHEMBL13738903 | 0.86 | PTPN11 (1.00) | PTPN11PTPN7PTPRCALOX15PTPN1 | |
| SCHEMBL2401972 | 0.86 | PTPN11 (1.00) | PTPN11PTPN7PTPRCALOX15PTPN1 | |
| SCHEMBL29391398 | 0.86 | PTPN11 (1.00) | PTPN11PTPN7PTPRCALOX15PTPN1 | |
| SCHEMBL30542884 | 0.86 | PTPN11 (1.00) | PTPN11PTPN7PTPRCALOX15PTPN1 | |
| SCHEMBL13738901 | 0.86 | PTPN11 (1.00) | PTPN11PTPN7PTPRCALOX15PTPN1 | |
| SCHEMBL2401966 | 0.85 | PTPN11 (0.98) | PTPN11PTPN7PTPRCALOX15PTPN1 | |
| SCHEMBL29624127 | 0.83 | PTPN11 (0.71) | PTPN11PTPN7PTPRCALOX15PTPN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009140215-A2 | METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS | GERAGHTY, ERIN (US) | 2009-11-19 | — | — | WO | claimed |
| WO-2011110546-A2 | PHARMACEUTICAL COMPOSITION COMPRISING AN INHIBITOR OF SHP-2 AND SCREENING METHOD | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2011-09-15 | — | — | WO | disclosed |
| WO-2009140215-A2 | METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS | GERAGHTY, ERIN (US) | 2009-11-19 | — | — | WO | disclosed |