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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.81 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.73 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.73 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.73 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.73 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.73 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.66 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.66 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.66 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.66 |
| ▸ | AKT1 | P31749 | 2/20 | 0.81 |
| ▸ | LMNA | P02545 | 2/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.81 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.81 |
| ▸ | PRKCG | P05129 | 1/20 | 0.81 |
| ▸ | PRKCB | P05771 | 1/20 | 0.81 |
| ▸ | PRKCA | P17252 | 1/20 | 0.81 |
| ▸ | PRKCH | P24723 | 1/20 | 0.81 |
| ▸ | PRKCI | P41743 | 1/20 | 0.81 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| SCHEMBL10565337 | 0.99 | AKT1 (0.83) | AKT1LMNAALDH1A1PRKD3PRKCG | |
| SCHEMBL2734265 | 0.99 | AKT1 (0.83) | AKT1LMNAALDH1A1PRKD3PRKCG | |
| SCHEMBL2582886 | 0.99 | AKT1 (0.83) | AKT1LMNAALDH1A1PRKD3PRKCG | |
| SCHEMBL10602960 | 0.99 | AKT1 (0.83) | AKT1LMNAALDH1A1PRKD3PRKCG | |
| SCHEMBL2733343 | 0.99 | AKT1 (0.83) | AKT1LMNAALDH1A1PRKD3PRKCG | |
| SCHEMBL417053 | 0.99 | AKT1 (0.83) | AKT1LMNAALDH1A1PRKD3PRKCG | |
| SCHEMBL10565746 | 0.99 | AKT1 (0.83) | AKT1LMNAALDH1A1PRKD3PRKCG | |
| SCHEMBL1532761 | 0.99 | AKT1 (0.83) | AKT1LMNAALDH1A1PRKD3PRKCG | |
| SCHEMBL4320248 | 0.99 | AKT1 (0.83) | AKT1LMNAALDH1A1PRKD3PRKCG | |
| SCHEMBL15477735 | 0.99 | AKT1 (0.83) | AKT1LMNAALDH1A1PRKD3PRKCG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7906147-B2 | superparamagnetic nanoparticles of iron coated with bilayer of molecules:(a) layer of oleic acid in direct contact with the iron particles; (b) a layer of Tween\"; bilayer of surface binding molecules and amphiphatic molecules; self-assembles; solubilizing; reducing toxicity; gold in MRI and tomography | NANOPROBES, INC. (US) | 2011-03-15 | — | — | US | disclosed |
| US-20080089836-A1 | superparamagnetic nanoparticles of iron coated with bilayer of molecules:(a) layer of oleic acid in direct contact with the iron particles; (b) a layer of Tween\"; bilayer of surface binding molecules and amphiphatic molecules; self-assembles; solubilizing; reducing toxicity; gold in MRI and tomography | NANOPROBES, INC. (US) | 2008-04-17 | — | — | 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-20080089836-A1 | superparamagnetic nanoparticles of iron coated with bilayer of molecules:(a) layer of oleic acid in direct contact with the iron particles; (b) a layer of Tween\"; bilayer of surface binding molecules and amphiphatic molecules; self-assembles; solubilizing; reducing toxicity; gold in MRI and tomography | TFRC, FABP1, SCARB1 | MEN1 1197/4885ADRA1D 2800/4885HTR1D 4585/4885 |
“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.