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 | 3/20 | 0.51 |
| ▸ | ATP4A known ✓ | P20648 | 1/20 | 0.49 |
| ▸ | ATP4B known ✓ | P51164 | 1/20 | 0.49 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 7/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6475400 | 0.87 | CYP2E1 (0.57) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL8384659 | 0.86 | CYP1A2 (0.56) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL6485647 | 0.86 | ATP4A (0.52) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL16366746 | 0.82 | CYP2E1 (0.62) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL6475988 | 0.81 | HPGD (0.50) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL6473985 | 0.81 | CYP1A2 (0.61) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL7592737 | 0.79 | RAB9A (0.77) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL6475390 | 0.79 | RAB9A (0.50) | RAB9ANPC1SMN1; SMN2MAPTHPGD | |
| SCHEMBL10751624 | 0.78 | CYP1A2 (0.50) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL6480868 | 0.78 | NPC1 (0.69) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6906078-B2 | Method of using (H+/K+) ATPase inhibitors as antiviral agents | PHARMACIA CORPORATION (US) | 2005-06-14 | — | — | US | disclosed |
| US-20010047038-A1 | Method of using (H+/K+) ATPase inhibitors as antiviral agents | MOORMAN ALAN E (US) | 2001-11-29 | — | — | US | disclosed |
| US-5945425-A | ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE | G.D. SEARLE & CO. (US) | 1999-08-31 | — | — | US | disclosed |
| EP-0204215-A1 | 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines | G.D. Searle & Co. (US) | 1986-12-10 | — | — | EP | 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-20010047038-A1 | Method of using (H+/K+) ATPase inhibitors as antiviral agents | ATP4A, ATP1A1, ATP1A4 | MEN1 4836/4885ATP4A 1/4885ATP4B 8/4885 |
“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.