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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 2/20 | 0.57 |
| ▸ | PARP1 known ✓ | P09874 | 6/20 | 0.50 |
| ▸ | PARP2 known ✓ | Q9UGN5 | 2/20 | 0.46 |
| ▸ | ATIC | P31939 | 1/20 | 0.51 |
| ▸ | VNN1 | O95497 | 4/20 | 0.50 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.46 |
| ▸ | TNKS | O95271 | 1/20 | 0.46 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 2/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL171168 | 0.96 | GSK3B (0.61) | GSK3BATICPARP1VNN1PARP15 | |
| SCHEMBL2041048 | 0.96 | GSK3B (0.61) | GSK3BATICPARP1VNN1PARP15 | |
| Hydrochloric Acid SCHEMBL4380330 | 0.94 | GSK3B (0.59) | GSK3BATICPARP1VNN1PARP15 | |
| Fluorobenzene SCHEMBL28928520 | 0.85 | PARP1 (0.59) | GSK3BATICPARP1VNN1 | |
| Trifluoroacetic Acid SCHEMBL10277552 | 0.85 | GSK3B (0.50) | GSK3BATICPARP1VNN1GRM5 | |
| Trifluoroacetic Acid SCHEMBL10277752 | 0.85 | GSK3B (0.50) | GSK3BATICPARP1VNN1GRM5 | |
| SCHEMBL3859503 | 0.82 | GSK3B (0.50) | GSK3BATICVNN1 | |
| SCHEMBL23079142 | 0.81 | GSK3B (0.61) | GSK3BVNN1GRM5CLK4ELANE | |
| SCHEMBL2500188 | 0.81 | GSK3B (0.61) | GSK3BVNN1GRM5CLK4ELANE | |
| SCHEMBL7136929 | 0.79 | PARP1 (0.55) | GSK3BATICPARP1PARP15PARP10 |
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 |
|---|---|---|---|---|---|---|---|
| US-9084992-B2 | Process for producing a nitrogen-containing carbon alloy | FUJIFILM CORPORATION (JP) | 2015-07-21 | — | — | US | disclosed |
| US-20140051860-A1 | PROCESS FOR PRODUCING A NITROGEN-CONTAINING CARBON ALLOY | FUJIFILM CORPORATION (JP) | 2014-02-20 | — | — | US | disclosed |
| US-20110245071-A1 | NITROGEN-CONTAINING CARBON ALLOY, PROCESS OF PRODUCING THE SAME, AND CARBON CATALYST CONTAINING THE SAME | FUJIFILM CORPORATION (JP) | 2011-10-06 | — | — | US | disclosed |