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 | |
|---|---|---|---|---|
| ▸ | DHFR known ✓ | P00374 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CDC25A | P30304 | 1/20 | 0.47 |
| ▸ | ACMSD | Q8TDX5 | 5/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HNF4A | P41235 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
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 SCHEMBL9437059 | 1.00 | CDC25B (0.47) | CDC25BHSD17B10CDC25AACMSDMCL1 | |
| SCHEMBL87895 | 0.98 | CDC25B (0.49) | CDC25BHSD17B10CDC25AACMSDMCL1 | |
| SCHEMBL29575085 | 0.97 | CDC25B (0.47) | CDC25BHSD17B10CDC25AACMSDMCL1 | |
| Pyromellitic Acid SCHEMBL15228126 | 0.97 | CDC25B (0.47) | CDC25BHSD17B10CDC25AACMSDMCL1 | |
| SCHEMBL9240427 | 0.97 | CDC25B (0.47) | CDC25BHSD17B10CDC25AACMSDMCL1 | |
| SCHEMBL28679459 | 0.97 | CDC25B (0.47) | CDC25BHSD17B10CDC25AACMSDMCL1 | |
| SCHEMBL10413641 | 0.87 | MCL1 (0.41) | CDC25BHSD17B10CDC25AACMSDMCL1 | |
| Ether SCHEMBL10413640 | 0.87 | PTPN11 (0.44) | CDC25BHSD17B10CDC25AACMSDMCL1 | |
| SCHEMBL7139018 | 0.85 | HNF4A (0.53) | CDC25BHSD17B10ACMSDMCL1ALDH1A1 | |
| SCHEMBL1346651 | 0.85 | MCL1 (0.42) | CDC25BHSD17B10CDC25AACMSDMCL1 |
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-10082704-B2 | Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element having thereof | CHI MEI CORPORATION (TW) | 2018-09-25 | — | — | US | disclosed |
| US-20160282676-A1 | LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF | CHI MEI CORPORATION (TW) | 2016-09-29 | — | — | US | disclosed |
| US-20150274969-A1 | LIQUID CRYSTAL ALIGNMENT AGENT AND USES THEREOF | CHI MEI CORPORATION (TW) | 2015-10-01 | — | — | US | disclosed |
| US-20140350179-A1 | LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF | CHI MEI CORPORATION (TW) | 2014-11-27 | — | — | US | disclosed |
| US-20050136245-A1 | Intermediate transfer medium, film forming liquid for the intermediate transfer medium and image forming apparatus using intermediate transfer medium | RICOH COMPANY LIMITED (JP) | 2005-06-23 | — | — | US | disclosed |