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 | 7/20 | 0.72 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.67 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.67 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.67 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.67 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.67 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.54 |
| ▸ | GRIA1 known ✓ | P42261 | 1/20 | 0.32 |
| ▸ | GRIA2 known ✓ | P42262 | 1/20 | 0.32 |
| ▸ | GRIA3 known ✓ | P42263 | 1/20 | 0.32 |
| ▸ | GRIA4 known ✓ | P48058 | 1/20 | 0.32 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.32 |
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.72 |
| ▸ | USP2 | O75604 | 4/20 | 0.72 |
| ▸ | HAT1 | O14929 | 4/20 | 0.72 |
| ▸ | RBBP7 | Q16576 | 4/20 | 0.72 |
| ▸ | HTT | P42858 | 4/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.72 |
| ▸ | RECQL | P46063 | 3/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL6369069 | 0.99 | MEN1 (0.73) | MEN1KMT2AUSP2HAT1RBBP7 | |
| SCHEMBL50097 | 0.98 | MEN1 (0.74) | MEN1KMT2AUSP2HAT1RBBP7 | |
| SCHEMBL10324834 | 0.90 | MEN1 (0.70) | MEN1KMT2AUSP2HAT1RBBP7 | |
| SCHEMBL50155 | 0.90 | MEN1 (0.73) | MEN1KMT2AUSP2HAT1RBBP7 | |
| SCHEMBL2244132 | 0.90 | MEN1 (0.72) | MEN1KMT2AUSP2HAT1RBBP7 | |
| SCHEMBL478371 | 0.88 | MEN1 (0.67) | MEN1KMT2AUSP2HAT1RBBP7 | |
| Riboflavin SCHEMBL27796272 | 0.88 | MEN1 (0.89) | MEN1KMT2AUSP2HAT1RBBP7 | |
| SCHEMBL4879444 | 0.88 | ESR1 (0.66) | MEN1KMT2AUSP2HAT1RBBP7 | |
| Riboflavin SCHEMBL20474794 | 0.87 | MEN1 (0.90) | MEN1KMT2AUSP2HAT1RBBP7 | |
| Riboflavin SCHEMBL20528621 | 0.87 | MEN1 (0.90) | MEN1KMT2AUSP2HAT1RBBP7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2663281-B1 | CORNEAL DELIVERY OF CROSS-LINKING AGENTS BY IONTOPHORESIS FOR THE TREATMENT OF KERATOCONUS AND RELATED OPHTHALMIC COMPOSITIONS | SOOFT ITALIA S P A (IT) | 2016-08-10 | — | — | EP | claimed |
| US-20130310732-A1 | CORNEAL DELIVERY OF CROSS-LINKING AGENTS BY IONTOPHORESIS FOR THE TREATMENT OF KERATOCONUS AND RELATED OPHTHALMIC COMPOSITIONS | SOOFT ITALIA SPA (IT) | 2013-11-21 | — | — | US | claimed |
| EP-2663281-B1 | CORNEAL DELIVERY OF CROSS-LINKING AGENTS BY IONTOPHORESIS FOR THE TREATMENT OF KERATOCONUS AND RELATED OPHTHALMIC COMPOSITIONS | SOOFT ITALIA S P A (IT) | 2016-08-10 | — | — | EP | disclosed |
| EP-2323642-B1 | Use of EDTA+tromethamine or of photoenhancers, associated to riboflavin for corneal cross-linking in the treatment of the keratoconus or of other corneal ectasic disorders | SOOFT ITALIA S P A (IT) | 2014-02-19 | — | — | EP | disclosed |
| US-20110152219-A1 | USE OF ENHANCERS, POSSIBLY ASSOCIATED TO RIBOFLAVIN, AS WELL AS CORRESPONDING OPHTHALMIC COMPOSITIONS FOR CORNEAL CROSS-LINKING IN THE TREATMENT OF THE KERATOCONUS OR OF OTHER CORNEAL ECTASIC DISORDERS | SOOFT ITALIA SPA (IT) | 2011-06-23 | — | — | 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-20110152219-A1 | USE OF ENHANCERS, POSSIBLY ASSOCIATED TO RIBOFLAVIN, AS WELL AS CORRESPONDING OPHTHALMIC COMPOSITIONS FOR CORNEAL CROSS-LINKING IN THE TREATMENT OF THE KERATOCONUS OR OF OTHER CORNEAL ECTASIC DISORDERS | VKORC1L1, VKORC1, ENPP1 | MEN1 4624/4885ESR1 1862/4885ADRB2 2692/4885 |
“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.