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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.45 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.37 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PTP4A3 | O75365 | 2/20 | 0.34 |
| ▸ | PTP4A1 | Q93096 | 2/20 | 0.34 |
| ▸ | PTP4A2 | Q12974 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 SCHEMBL1080260 | 1.00 | TSHR (0.48) | TSHRTHRBALDH1A1CYP3A4TDP1 | |
| SCHEMBL8921614 | 0.98 | — | — | |
| SCHEMBL28226548 | 0.98 | TSHR (0.50) | TSHRTHRBALDH1A1CYP3A4TDP1 | |
| SCHEMBL22017 | 0.98 | — | — | |
| SCHEMBL1057516 | 0.98 | TSHR (0.50) | TSHRTHRBALDH1A1CYP3A4TDP1 | |
| SCHEMBL6269152 | 0.98 | — | — | |
| SCHEMBL4823985 | 0.98 | — | — | |
| Acetone SCHEMBL11804126 | 0.95 | TSHR (0.48) | TSHRTHRBALDH1A1CYP3A4TDP1 | |
| Phosphine SCHEMBL6536445 | 0.95 | TSHR (0.48) | TSHRTHRBALDH1A1CYP3A4TDP1 | |
| Fluoride SCHEMBL8087473 | 0.95 | TSHR (0.48) | TSHRTHRBALDH1A1CYP3A4TDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8183760-A | — | — | None | — | — | JP | disclosed |
| CN-1137729-C | Fine grain carrier and medicinal composition prepared with use of same | ��һ��������ҩ��ʽ���� | 2004-02-11 | — | — | CN | disclosed |
| US-6368631-B1 | BLEND OF DRUG AND GRAFT POLYMER; DRUG DELIVERY | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2002-04-09 | — | — | US | disclosed |
| US-6100338-A | GRAFT COPOLYMER WHOSE GRAFT CHAIN IS POLY N-ALKYLACRYLAMIDE OR POLY N-ALKYLMETHACRYLAMIDE, GRAFT COPOLYMER HAVING POLYACRYLIC ACID OR POLYMETHACRYLIC ACID AS GRAFT COPOLYMERS, GRAFT POLYMERS HAVING POLYVINYL AMINE GRAFT POLYMER; DRUG DELIVERY | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2000-08-08 | — | — | US | disclosed |
| CN-1211927-A | Fine grain carrier and medicinal composition prepared with use of same | DAIICHI SEIYAKU CO (JP) | 1999-03-24 | — | — | CN | disclosed |
| EP-0893125-A1 | FINE GRAIN CARRIERS AND MEDICINAL COMPOSITION PREPARED WITH THE USE OF THE SAME | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1999-01-27 | — | — | EP | disclosed |
| JP-H08183760-A | MACROMONOMER, GRAFT POLYMER AND THEIR PRODUCTION | DAI ICHI SEIYAKU CO LTD | 1996-07-16 | — | — | JP | disclosed |