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 | |
|---|---|---|---|---|
| ▸ | CHRM5 known ✓ | P08912 | 3/20 | 0.45 |
| ▸ | CHRM1 known ✓ | P11229 | 3/20 | 0.45 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.45 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.45 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.45 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | RAD52 | P43351 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CHRNA10 | Q9GZZ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL26314 | 0.98 | ALDH1A1 (0.56) | ALDH1A1RAD52GAACHRM5CHRM1 | |
| Ammonia Solution, Strong SCHEMBL7710348 | 0.95 | ALDH1A1 (0.54) | ALDH1A1RAD52GAACHRM5CHRM1 | |
| SCHEMBL761115 | 0.91 | ALDH1A1 (0.54) | ALDH1A1RAD52GAACHRM5CHRM1 | |
| SCHEMBL31440319 | 0.89 | ALDH1A1 (0.52) | ALDH1A1RAD52GAACHRM5CHRM1 | |
| SCHEMBL31297301 | 0.89 | ALDH1A1 (0.52) | ALDH1A1RAD52GAACHRM5CHRM1 | |
| SCHEMBL8756090 | 0.89 | ALDH1A1 (0.52) | ALDH1A1RAD52GAACHRM5CHRM1 | |
| SCHEMBL34462071 | 0.89 | ALDH1A1 (0.52) | ALDH1A1RAD52GAACHRM5CHRM1 | |
| SCHEMBL31440233 | 0.89 | ALDH1A1 (0.52) | ALDH1A1RAD52GAACHRM5CHRM1 | |
| SCHEMBL31440349 | 0.89 | ALDH1A1 (0.52) | ALDH1A1RAD52GAACHRM5CHRM1 | |
| SCHEMBL31440335 | 0.89 | ALDH1A1 (0.52) | ALDH1A1RAD52GAACHRM5CHRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105813721-B | Device for dispensing particles in small volumes | 不列颠哥伦比亚大学 | 2019-11-05 | — | — | CN | disclosed |
| CN-108064294-A | Hepatitis B virus (HBV) iRNA compositions and methods of use thereof | 阿尔尼拉姆医药品有限公司 | 2018-05-22 | — | — | CN | disclosed |
| CN-107533076-A | Continuous stream microfluid system | 不列颠哥伦比亚大学 | 2018-01-02 | — | — | CN | disclosed |
| CN-105813721-A | Device for dispensing particles in small volumes | 不列颠哥伦比亚大学 | 2016-07-27 | — | — | CN | disclosed |