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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.32 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL18465494 | 0.98 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2C19TSHRNPSR1 | |
| SCHEMBL31693092 | 0.98 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2C19TSHRNPSR1 | |
| SCHEMBL356446 | 0.98 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2C19TSHRNPSR1 | |
| Hydrochloric Acid SCHEMBL28975958 | 0.96 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CYP2C19TSHRNPSR1 | |
| SCHEMBL28865695 | 0.92 | CYP3A4 (0.35) | ALDH1A1CYP3A4CYP2C19TSHRNPSR1 | |
| SCHEMBL891773 | 0.83 | CPA1 (0.42) | ALDH1A1TSHRNPSR1GAALMNA | |
| SCHEMBL27163296 | 0.82 | CYP3A4 (0.41) | ALDH1A1CYP3A4CYP2C19TSHRNPSR1 | |
| SCHEMBL11520161 | 0.82 | TSHR (0.38) | ALDH1A1TSHRLMNAHSD17B10HCAR2 | |
| SCHEMBL11213886 | 0.81 | TDP1 (0.44) | ALDH1A1CYP3A4TSHRNPSR1LMNA | |
| SCHEMBL23200430 | 0.80 | TSHR (0.40) | ALDH1A1CYP2C19TSHRLMNATDP1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030050426-A1 | Synthesized through ring-opening polymerization of functionalized epoxides alone or in combination with cyclic esters under mild, controlled conditions | SHASTRI VENKATRAM P (US) | 2003-03-13 | — | — | US | claimed |
| WO-2003000766-A1 | FUNCTIONALIZED DEGRADABLE POLYMERS | SHASTRI VENKATRAM PRASAD (US) | 2003-01-03 | — | — | WO | claimed |
| US-7658998-B2 | Mixture of biocompatibility polymer and active materials, drugs | ALKERMES CONTROLLED THERAPEUTICS, INC. (US) | 2010-02-09 | — | — | US | disclosed |
| US-20040247870-A1 | Method of preparing sustained release microparticles | ALKERMES, INC. | 2004-12-09 | — | — | US | disclosed |
| WO-2004064752-A2 | METHOD OF PREPARING SUSTAINED RELEASE MICROPARTICLES | ALKERMES CONTROLLED THERAPEUTICS, INC. (US) | 2004-08-05 | — | — | WO | disclosed |
| US-6730772-B2 | SYNTHESIZED THROUGH RING-OPENING POLYMERIZATION OF FUNCTIONALIZED EPOXIDES ALONE OR IN COMBINATION WITH CYCLIC ESTERS UNDER MILD, CONTROLLED CONDITIONS | SHASTRI VENKATRAM P (US) | 2004-05-04 | — | — | US | disclosed |
| US-20030050426-A1 | Synthesized through ring-opening polymerization of functionalized epoxides alone or in combination with cyclic esters under mild, controlled conditions | SHASTRI VENKATRAM P (US) | 2003-03-13 | — | — | US | disclosed |
| WO-2003000766-A1 | FUNCTIONALIZED DEGRADABLE POLYMERS | SHASTRI VENKATRAM PRASAD (US) | 2003-01-03 | — | — | WO | disclosed |