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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET known ✓ | P08581 | 6/20 | 0.79 |
| ▸ | JAK2 known ✓ | O60674 | 2/20 | 0.49 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.43 |
| ▸ | PIK3CB known ✓ | P42338 | 1/20 | 0.43 |
| ▸ | PIK3CG known ✓ | P48736 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.52 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | MAP4K3 | Q8IVH8 | 2/20 | 0.45 |
| ▸ | FYN | P06241 | 2/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | USP7 | Q93009 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.42 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL487907 | 0.99 | MET (0.81) | METMAP4K4JAK2MPOMAP4K3 | |
| SCHEMBL488145 | 0.90 | MET (0.68) | METMAP4K4JAK2MAP4K3 | |
| SCHEMBL6364739 | 0.90 | MET (0.75) | METMAP4K4JAK2MPOMAP4K3 | |
| SCHEMBL487777 | 0.89 | MET (0.83) | METMAP4K4JAK2MPOMAP4K3 | |
| SCHEMBL30453987 | 0.88 | MET (1.00) | METMAP4K4MPOMAP4K3FYN | |
| SCHEMBL487572 | 0.88 | MET (0.73) | METMAP4K4JAK2MPOMAP4K3 | |
| SCHEMBL487739 | 0.88 | MET (0.77) | METMAP4K4JAK2MPOMAP4K3 | |
| SCHEMBL487830 | 0.88 | MET (1.00) | METMAP4K4MPOMAP4K3FYN | |
| SCHEMBL30453556 | 0.88 | MET (0.77) | METMAP4K4JAK2MPOMAP4K3 | |
| SCHEMBL487619 | 0.87 | MET (0.71) | METMAP4K4JAK2MPOMAP4K3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103265477-B | Aminoheteroaryl compounds as protein kinase inhibitors | 苏根公司 | 2017-01-11 | — | — | CN | disclosed |