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 | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 11/20 | 0.75 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.74 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.72 |
| ▸ | NR3C1 | P04150 | 14/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.74 |
| ▸ | PGR | P06401 | 5/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.74 |
| ▸ | USP2 | O75604 | 1/20 | 0.74 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.72 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.72 |
| ▸ | AR | P10275 | 2/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | APEX1 | P27695 | 1/20 | 0.72 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.72 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.72 |
| ▸ | IKBKB | O14920 | 1/20 | 0.72 |
| ▸ | CHUK | O15111 | 1/20 | 0.72 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL2898449 | 0.99 | NR3C1 (0.76) | NR3C1MMP1CYP3A4PGRMEN1 | |
| SCHEMBL15671680 | 0.99 | NR3C1 (0.76) | NR3C1MMP1CYP3A4PGRMEN1 | |
| SCHEMBL73249 | 0.99 | NR3C1 (0.76) | NR3C1MMP1CYP3A4PGRMEN1 | |
| SCHEMBL5912759 | 0.98 | NR3C1 (0.75) | NR3C1MMP1CYP3A4PGRMEN1 | |
| SCHEMBL2123848 | 0.98 | NR3C1 (0.75) | NR3C1MMP1CYP3A4PGRMEN1 | |
| SCHEMBL1301198 | 0.98 | NR3C1 (0.75) | NR3C1MMP1CYP3A4PGRMEN1 | |
| SCHEMBL3126388 | 0.98 | NR3C1 (0.75) | NR3C1MMP1CYP3A4PGRMEN1 | |
| SCHEMBL3836633 | 0.98 | NR3C1 (0.75) | NR3C1MMP1CYP3A4PGRMEN1 | |
| Dexamethasone SCHEMBL3404392 | 0.95 | HIF1A (0.82) | NR3C1MMP1CYP3A4PGRMEN1 | |
| SCHEMBL11064010 | 0.93 | NR3C1 (0.72) | NR3C1MMP1CYP3A4PGRMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120171690-A1 | Transgenic Animals for Analyzing CYP3A4 Cytochrome P450 Gene Regulation | THE UNIVERSITY OF SYDNEY (AU) | 2012-07-05 | — | — | US | disclosed |
| US-8088968-B2 | Transgenic animals for analyzing CYP3A4 cytochrome P450 gene regulation | THE UNIVERSITY OF SYDNEY (AU) | 2012-01-03 | — | — | US | disclosed |
| US-20090307785-A1 | Transgenic animals for analyzing CYP3A4 cytochrome P450 gene regulation | THE UNIVERSITY OF SYDNEY (AU) | 2009-12-10 | — | — | US | disclosed |
| US-20090288181-A1 | Transgenic animals for analyzing CYP3A4 cytochrome P450 gene regulation | THE UNIVERSITY OF SYDNEY (AU) | 2009-11-19 | — | — | US | disclosed |
| US-7531712-B2 | P450 gene regulation | THE UNIVERSITY OF SYNDEY (AU) | 2009-05-12 | — | — | US | disclosed |
| US-20050076397-A1 | Transgenic animals for analysing cyp3a4 cytochrome p450 gene regulation | THE UNIVERSITY OF SYDNEY (AU) | 2005-04-07 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090288181-A1 | Transgenic animals for analyzing CYP3A4 cytochrome P450 gene regulation | CYP3A43, CYP3A5, CYP1A1 | MMP1 2812/4885MEN1 4731/4885ADRB2 1152/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.