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 | |
|---|---|---|---|---|
| ▸ | PKLR known ✓ | P30613 | 1/20 | 0.41 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.39 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.39 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.39 |
| ▸ | DUSP5 | Q16690 | 2/20 | 0.66 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | UQCRB | P14927 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10354362 | 0.98 | DUSP5 (0.68) | DUSP5NR4A1PKLRUQCRBTSHR | |
| SCHEMBL1808445 | 0.80 | CDK2 (0.59) | DUSP5NR4A1UQCRBTSHRMEN1 | |
| SCHEMBL18274853 | 0.80 | DUSP5 (1.00) | DUSP5PKLRTSHRMEN1KMT2A | |
| SCHEMBL465006 | 0.79 | CDK2 (0.53) | DUSP5NR4A1UQCRBTSHRMEN1 | |
| Phenolsulphonic Acid SCHEMBL6550545 | 0.78 | PKLR (0.52) | DUSP5NR4A1PKLRTSHRALDH1A1 | |
| Phenolsulphonic Acid SCHEMBL10502733 | 0.78 | PKLR (0.52) | DUSP5NR4A1PKLRTSHRALDH1A1 | |
| SCHEMBL10594898 | 0.77 | NR4A1 (0.49) | DUSP5NR4A1PKLRUQCRBMEN1 | |
| SCHEMBL10354361 | 0.77 | CDK2 (0.51) | DUSP5NR4A1UQCRBTSHRMEN1 | |
| SCHEMBL11199053 | 0.76 | DUSP5 (0.50) | DUSP5NR4A1PKLRALDH1A1PTPN1 | |
| SCHEMBL452424 | 0.76 | DUSP5 (0.50) | DUSP5NR4A1PKLRALDH1A1PTPN1 |
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-7494760-B2 | Photoacid generators, chemically amplified resist compositions, and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2009-02-24 | — | — | US | disclosed |
| US-20070287096-A1 | Photoacid generators, chemically amplified resist compositions, and patterning process | SHIN-ETSU CHEMICAL CO., LTD. | 2007-12-13 | — | — | US | disclosed |
| US-6916591-B2 | Photoacid generators, chemically amplified resist compositions, and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2005-07-12 | — | — | US | disclosed |
| US-6692893-B2 | ONIUM SALTS OF ARYLSULFONYLOXYNAPHTHALENESULFONATE ANIONS WITH IODONIUM OR SULFONIUM CATIONS; USE IN DEEP ULTRAVIOLET LITHOGRAPHY | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2004-02-17 | — | — | US | disclosed |
| US-20030215738-A1 | Photoacid generators, chemically amplified resist compositions, and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2003-11-20 | — | — | US | disclosed |
| US-20020076643-A1 | Novel onium salts, photoacid generators, resist compositions, and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-06-20 | — | — | 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-20030215738-A1 | Photoacid generators, chemically amplified resist compositions, and patterning process | CCNH, PAH, POLH | PKLR 526/4885MEN1 4466/4885CACNA1B 1670/4885 |
| US-20020076643-A1 | Novel onium salts, photoacid generators, resist compositions, and patterning process | PNN, PI4K2B, PI4K2A | PKLR 165/4885MEN1 4165/4885CACNA1B 1130/4885 |
“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.