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 | |
|---|---|---|---|---|
| ▸ | GRIK1 known ✓ | P39086 | 1/20 | 0.38 |
| ▸ | GRIA1 known ✓ | P42261 | 1/20 | 0.38 |
| ▸ | GRIA2 known ✓ | P42262 | 1/20 | 0.38 |
| ▸ | GRIA3 known ✓ | P42263 | 1/20 | 0.38 |
| ▸ | GRIA4 known ✓ | P48058 | 1/20 | 0.38 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.38 |
| ▸ | GRIK2 known ✓ | Q13002 | 1/20 | 0.38 |
| ▸ | GRIK3 known ✓ | Q13003 | 1/20 | 0.38 |
| ▸ | GRIK5 known ✓ | Q16478 | 1/20 | 0.38 |
| ▸ | CACNA2D1 known ✓ | P54289 | 2/20 | 0.37 |
| ▸ | CACNB3 known ✓ | P54284 | 1/20 | 0.37 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.37 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.37 |
| ▸ | CACNA2D2 known ✓ | Q9NY47 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.47 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2491274 | 0.97 | SLC22A6 (0.50) | SLC22A6GABRR1LMNATDP1SMN1; SMN2 | |
| SCHEMBL10657294 | 0.85 | SLC22A6 (0.41) | SLC22A6GABRR1LMNATDP1SMN1; SMN2 | |
| SCHEMBL10657150 | 0.85 | SLC22A6 (0.41) | SLC22A6GABRR1LMNATDP1SMN1; SMN2 | |
| SCHEMBL740306 | 0.84 | — | — | |
| SCHEMBL10655250 | 0.83 | MAPT (0.39) | SLC22A6GABRR1LMNATDP1SMN1; SMN2 | |
| SCHEMBL18980805 | 0.83 | MAPT (0.39) | SLC22A6GABRR1LMNATDP1SMN1; SMN2 | |
| SCHEMBL10653694 | 0.83 | MAPT (0.39) | SLC22A6GABRR1LMNATDP1SMN1; SMN2 | |
| SCHEMBL23225427 | 0.81 | — | — | |
| SCHEMBL17234502 | 0.79 | — | — | |
| SCHEMBL10657948 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6627580-B2 | Conjugated imines that are selectivite for tri-valent manganese ions; used for the treatment of manganese deficiency in plant cultivation | AKZO NOBEL N.V. (NL) | 2003-09-30 | — | — | US | disclosed |
| US-20020156308-A1 | Conjugated imines that are selectivite for tri-valent manganese ions; used for the treatment of manganese deficiency in plant cultivation | HAKANSON CHRISTER L (SE) | 2002-10-24 | — | — | US | disclosed |
| US-6458980-B1 | MANGANIC CHELATES OF THE CHELATING AGENTS AND SALTS WITH PERMANGANATE OR MANGANESE DIOXIDE CHELATING AGENTS (CHELANTS) OF THE GENERAL STRUCTURE: DEFICIENCY IN PLANT CULTIVATION. | AKZO NOBEL NV (NL) | 2002-10-01 | — | — | US | disclosed |
| EP-0998450-A1 | CHELATING AGENTS AND THEIR MANGANIC CHELATES | Akzo Nobel N.V. (NL) | 2000-05-10 | — | — | EP | disclosed |
| WO-1999002487-A1 | CHELATING AGENTS AND THEIR MANGANIC CHELATES | AKZO NOBEL N.V. (NL) | 1999-01-21 | — | — | WO | 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-20020156308-A1 | Conjugated imines that are selectivite for tri-valent manganese ions; used for the treatment of manganese deficiency in plant cultivation | MT-CO2, ZC3HAV1, MT-CO1 | GRIK1 1688/4885GRIA1 863/4885GRIA2 644/4885 |
“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.