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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 11/20 | 0.61 |
| ▸ | NR3C2 | P08235 | 6/20 | 0.61 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.61 |
| ▸ | PGR | P06401 | 4/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | SERPINA6 | P08185 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.61 |
| ▸ | SHBG | P04278 | 1/20 | 0.61 |
| ▸ | AR | P10275 | 2/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | TNF | P01375 | 1/20 | 0.56 |
| ▸ | IL6 | P05231 | 1/20 | 0.56 |
| ▸ | GLUL | P15104 | 1/20 | 0.56 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL141828 | 0.99 | HIF1A (0.62) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| Acetic Acid SCHEMBL27804797 | 0.97 | HIF1A (0.60) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| Butyric Acid SCHEMBL28140488 | 0.96 | HIF1A (0.59) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| Propionic Acid SCHEMBL27929927 | 0.96 | HIF1A (0.59) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| SCHEMBL141360 | 0.95 | HIF1A (0.61) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| SCHEMBL6001323 | 0.95 | HIF1A (0.65) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| Valeric Acid SCHEMBL28435896 | 0.95 | HIF1A (0.57) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| SCHEMBL249836 | 0.94 | HIF1A (0.64) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| SCHEMBL14931695 | 0.94 | HIF1A (0.64) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| Hydrocortisone SCHEMBL21313285 | 0.94 | HIF1A (0.72) | HIF1ANR3C2NR3C1HSD17B10PGR |
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 |
|---|---|---|---|---|---|---|---|
| CN-103880906-B | A kind of hydrocortisone butyrate semihydrate | TIANJIN JINYAO GROUP Co.,Ltd. (CN) | 2015-10-07 | — | — | CN | claimed |
| CN-103880906-A | Hydrocortisone-17-butyrate semihydrate | TIANJIN JINYAO GROUP CO LTD | 2014-06-25 | — | — | CN | claimed |
| CN-103880906-B | A kind of hydrocortisone butyrate semihydrate | TIANJIN JINYAO GROUP Co.,Ltd. (CN) | 2015-10-07 | — | — | CN | disclosed |
| CN-103880907-A | Hydrocortisone-17-butyrate semihydrate | TIANJIN JINYAO GROUP CO LTD | 2014-06-25 | — | — | CN | disclosed |
| CN-103880906-A | Hydrocortisone-17-butyrate semihydrate | TIANJIN JINYAO GROUP CO LTD | 2014-06-25 | — | — | CN | disclosed |