Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.86 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.80 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.86 |
| ▸ | CDC25B | P30305 | 2/20 | 0.86 |
| ▸ | MAOA | P21397 | 4/20 | 0.80 |
| ▸ | S100A4 | P26447 | 3/20 | 0.80 |
| ▸ | TDP2 | O95551 | 3/20 | 0.80 |
| ▸ | RAB9A | P51151 | 3/20 | 0.80 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.80 |
| ▸ | MAPT | P10636 | 3/20 | 0.80 |
| ▸ | APAF1 | O14727 | 2/20 | 0.80 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.80 |
| ▸ | LMNA | P02545 | 2/20 | 0.80 |
| ▸ | POLB | P06746 | 2/20 | 0.80 |
| ▸ | BLM | P54132 | 2/20 | 0.80 |
| ▸ | NPC1 | O15118 | 2/20 | 0.80 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.80 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.80 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.80 |
| ▸ | PTPRC | P08575 | 2/20 | 0.80 |
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 | |
|---|---|---|---|---|
| Anthraquinone SCHEMBL28104615 | 0.96 | MEN1 (0.92) | MEN1KMT2ACDC25BMAOAS100A4 | |
| SCHEMBL28145725 | 0.96 | MEN1 (0.92) | MEN1KMT2ACDC25BMAOAS100A4 | |
| Anthraquinone SCHEMBL30692662 | 0.96 | MEN1 (0.92) | MEN1KMT2ACDC25BMAOAS100A4 | |
| Anthraquinone SCHEMBL9208192 | 0.96 | MEN1 (0.92) | MEN1KMT2ACDC25BMAOAS100A4 | |
| SCHEMBL31884 | 0.96 | MEN1 (0.92) | MEN1KMT2ACDC25BMAOAS100A4 | |
| Anthraquinone SCHEMBL6415478 | 0.96 | MEN1 (0.92) | MEN1KMT2ACDC25BMAOAS100A4 | |
| SCHEMBL30479684 | 0.96 | MEN1 (0.92) | MEN1KMT2ACDC25BMAOAS100A4 | |
| SCHEMBL20203661 | 0.96 | MEN1 (0.92) | MEN1KMT2ACDC25BMAOAS100A4 | |
| SCHEMBL29378679 | 0.96 | MEN1 (0.92) | MEN1KMT2ACDC25BMAOAS100A4 | |
| 9,10-Phenanthrenequinone SCHEMBL11634370 | 0.93 | S100A4 (0.93) | MEN1KMT2ACDC25BMAOAS100A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6251898-B1 | Medical use of fluorenone derivatives for treating and preventing brain and spinal injury | QUESTCOR PHARMACEUTICALS, INC. | 2001-06-26 | — | — | US | disclosed |
| WO-2001014334-A1 | FLUORENONE COMPOUNDS WITH MODIFIED 7-POSITION SUBSTITUENTS FOR TREATING AND PREVENTING BRAIN AND SPINAL INJURY | QUESTCOR PHARMACEUTICALS, INC. (US) | 2001-03-01 | — | — | WO | disclosed |
| US-4169897-A | VIRICIDES | RICHARDSON-MERRELL INC. (US) | 1979-10-02 | — | — | US | disclosed |
| US-4059702-A | ANTIVIRAL | RICHARDSON-MERRELL INC. (US) | 1977-11-22 | — | — | US | disclosed |