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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.94 |
| ▸ | IDO1 | P14902 | 1/20 | 0.57 |
| ▸ | AGXT | P21549 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL10609439 | 1.00 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL27380 | 0.97 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| Benzene SCHEMBL27997624 | 0.97 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL5311581 | 0.97 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| Ethylene SCHEMBL27462430 | 0.94 | TSHR (0.83) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL9795394 | 0.94 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| Potassium SCHEMBL586337 | 0.94 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| Methane SCHEMBL11192510 | 0.94 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL9491202 | 0.94 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| Calcium SCHEMBL2864550 | 0.94 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4705291-A1 | IKK-ALPHA INHIBITORS | Cancer Research Technology Limited (GB) | 2026-03-11 | — | — | EP | disclosed |
| WO-2024228035-A1 | IKK-ALPHA INHIBITORS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2024-11-07 | — | — | WO | disclosed |
| CN-111253339-B | Synthetic preparation method of curcumin derivatives and application of curcumin derivatives in cancer treatment | 河南省锐达医药科技有限公司 | 2021-01-26 | — | — | CN | disclosed |
| EP-2852414-B9 | MENINGOCOCCUS SEROGROUP X CONJUGATE | GLAXOSMITHKLINE BIOLOGICALS SA (BE) | 2020-12-09 | — | — | EP | disclosed |
| EP-2852414-B1 | MENINGOCOCCUS SEROGROUP X CONJUGATE | GLAXOSMITHKLINE BIOLOGICALS SA (BE) | 2020-07-08 | — | — | EP | disclosed |
| CN-111253339-A | Synthesis and preparation method of novel curcumin derivative and application of curcumin derivative in cancer treatment | 河南省锐达医药科技有限公司 | 2020-06-09 | — | — | CN | disclosed |
| US-10668143-B2 | Meningococcus serogroup X conjugate | GLAXOSMITHKLINE BIOLOGICALS SA (BE) | 2020-06-02 | — | — | US | disclosed |
| US-10124051-B2 | Meningococcus serogroup X conjugate | GLAXOSMITHKLINE BIOLOGICALS SA (BE) | 2018-11-13 | — | — | US | disclosed |
| US-20150104479-A1 | MENINGOCOCCUS SEROGROUP X CONJUGATE | NOVARTIS AG (CH) | 2015-04-16 | — | — | US | disclosed |
| EP-2852414-A1 | MENINGOCOCCUS SEROGROUP X CONJUGATE | Novartis AG (CH) | 2015-04-01 | — | — | EP | disclosed |
| WO-2013174832-A1 | MENINGOCOCCUS SEROGROUP X CONJUGATE | NOVARTIS AG (CH) | 2013-11-28 | — | — | WO | disclosed |
| CN-1812995-A | Industrially scalable nucleoside synthesis | IDENIX CAYMAN LTD (KY) | 2006-08-02 | — | — | CN | 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 (3 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-10668143-B2 | Meningococcus serogroup X conjugate | O60361, MLEC, PDHX | TACR1 4042/4885TSHR 4330/4885IDO1 658/4885 |
| US-20150104479-A1 | MENINGOCOCCUS SEROGROUP X CONJUGATE | O60361, MLEC, PDHX | TACR1 4042/4885TSHR 4330/4885IDO1 658/4885 |
| US-10124051-B2 | Meningococcus serogroup X conjugate | O60361, PDHX, MLEC | TACR1 4076/4885TSHR 4450/4885IDO1 666/4885 |
“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.