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 | 2/20 | 0.44 |
| ▸ | THRA known ✓ | P10827 | 1/20 | 0.39 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.39 |
| ▸ | FABP3 | P05413 | 2/20 | 0.58 |
| ▸ | FABP4 | P15090 | 2/20 | 0.58 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.43 |
| ▸ | BCL2 | P10415 | 2/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL1436997 | 0.98 | FABP3 (0.56) | FABP3FABP4GABRA1GABRB2ALDH1A1 | |
| SCHEMBL212716 | 0.98 | FABP3 (0.60) | FABP3FABP4GABRA1GABRB2ALDH1A1 | |
| SCHEMBL29593831 | 0.98 | FABP3 (0.60) | FABP3FABP4GABRA1GABRB2ALDH1A1 | |
| Benzene SCHEMBL9253514 | 0.96 | FABP3 (0.58) | FABP3FABP4GABRA1GABRB2ALDH1A1 | |
| SCHEMBL11783529 | 0.96 | FABP3 (0.58) | FABP3FABP4GABRA1GABRB2ALDH1A1 | |
| SCHEMBL11797932 | 0.96 | FABP3 (0.58) | FABP3FABP4GABRA1GABRB2ALDH1A1 | |
| SCHEMBL10618114 | 0.96 | FABP3 (0.58) | FABP3FABP4GABRA1GABRB2ALDH1A1 | |
| SCHEMBL6910525 | 0.96 | FABP3 (0.58) | FABP3FABP4GABRA1GABRB2ALDH1A1 | |
| SCHEMBL11794494 | 0.96 | FABP3 (0.58) | FABP3FABP4GABRA1GABRB2ALDH1A1 | |
| SCHEMBL28203848 | 0.96 | FABP3 (0.58) | FABP3FABP4GABRA1GABRB2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8962234-B2 | Resist underlayer film forming composition and method for forming resist pattern using the same | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2015-02-24 | — | — | US | disclosed |
| US-20140004465-A1 | RESIST UNDERLAYER FILM FORMING COMPOSITION AND METHOD FOR FORMING RESIST PATTERN USING THE SAME | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2014-01-02 | — | — | US | disclosed |
| CN-103415809-A | Composition for forming resist underlayer film and method for forming resist pattern using same | NISSAN CHEMICAL IND LTD | 2013-11-27 | — | — | CN | disclosed |
| EP-1704057-A1 | LASER IMAGING | Sherwood Technology LTD. (GB) | 2006-09-27 | — | — | EP | disclosed |
| WO-2005068207-A1 | LASER IMAGING | DATALASE LTD. (GB) | 2005-07-28 | — | — | WO | disclosed |