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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA2 known ✓ | P42262 | 6/20 | 0.37 |
| ▸ | GRIA1 known ✓ | P42261 | 5/20 | 0.37 |
| ▸ | GRIA4 known ✓ | P48058 | 5/20 | 0.37 |
| ▸ | GRIK5 known ✓ | Q16478 | 1/20 | 0.37 |
| ▸ | GRIA3 known ✓ | P42263 | 4/20 | 0.37 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PTPRA | P18433 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | ALPI | P09923 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1978138 | 0.75 | MAPT (0.38) | — | |
| SCHEMBL5320565 | 0.74 | SLC1A3 (0.44) | GRIA2GRIA1GRIA4GRIA3PTPRA | |
| SCHEMBL10962407 | 0.72 | ATM (0.37) | PKM | |
| SCHEMBL3194680 | 0.69 | PTPRA (0.46) | CYP1A2GRIA2GRIA1GRIA4GRIK5 | |
| SCHEMBL3194682 | 0.69 | PTPRA (0.46) | CYP1A2GRIA2GRIA1GRIA4GRIK5 | |
| SCHEMBL5289522 | 0.69 | CYP2C19 (0.49) | GRIA2GRIA1GRIA4GRIA3 | |
| SCHEMBL5140262 | 0.68 | L3MBTL1 (0.40) | PTGS1 | |
| SCHEMBL11095944 | 0.68 | SLC7A5 (0.55) | CYP1A2GRIA2SLC1A3ALPIPKM | |
| SCHEMBL52216 | 0.66 | CYP2C9 (0.47) | CYP1A2GRIA2GRIA1GRIA4GRIA3 | |
| SCHEMBL10059980 | 0.66 | GRIA4 (0.54) | CYP1A2GRIA2GRIA1GRIA4GRIA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100035952-A1 | Radiosensitizer Formulations and Methods for Use | Matthews, Dr. Richard H. (US) | 2010-02-11 | — | — | US | disclosed |
| US-7608612-B2 | Radiosensitizer formulations and methods for use | Matthews, Richard H. (US) | 2009-10-27 | — | — | US | disclosed |
| US-20060193917-A1 | Radiosensitizer formulations and methods for use | MATTHEWS, RICHARD H., DR. | 2006-08-31 | — | — | 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 (2 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-20100035952-A1 | Radiosensitizer Formulations and Methods for Use | NOS2, IDH1, HNMT | GRIA2 1199/4885GRIA1 1173/4885GRIA4 920/4885 |
| US-20060193917-A1 | Radiosensitizer formulations and methods for use | NOS2, IDH1, HNMT | GRIA2 1199/4885GRIA1 1173/4885GRIA4 920/4885 |
“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.