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 | |
|---|---|---|---|---|
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.68 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.64 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.64 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.64 |
| ▸ | P2RY1 | P47900 | 8/20 | 0.65 |
| ▸ | P2RY11 | Q96G91 | 3/20 | 0.65 |
| ▸ | ENPP1 | P22413 | 3/20 | 0.65 |
| ▸ | P2RY2 | P41231 | 3/20 | 0.64 |
| ▸ | DNPH1 | O43598 | 3/20 | 0.64 |
| ▸ | SRC | P12931 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.64 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.64 |
| ▸ | LDHA | P00338 | 1/20 | 0.64 |
| ▸ | FBP1 | P09467 | 1/20 | 0.64 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.64 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.64 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.64 |
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 SCHEMBL11897097 | 1.00 | ADORA1 (0.68) | ADORA1P2RY1P2RY11ENPP1P2RY2 | |
| SCHEMBL316941 | 0.99 | ADORA1 (0.69) | ADORA1P2RY1P2RY11ENPP1P2RY2 | |
| SCHEMBL29556100 | 0.99 | ADORA1 (0.69) | ADORA1P2RY1P2RY11ENPP1P2RY2 | |
| SCHEMBL4301058 | 0.98 | ADORA1 (0.68) | ADORA1P2RY1P2RY11ENPP1P2RY2 | |
| Silver SCHEMBL10622971 | 0.98 | ADORA1 (0.68) | ADORA1P2RY1P2RY11ENPP1P2RY2 | |
| SCHEMBL11579365 | 0.98 | ADORA1 (0.68) | ADORA1P2RY1P2RY11ENPP1P2RY2 | |
| SCHEMBL1030877 | 0.98 | ADORA1 (0.68) | ADORA1P2RY1P2RY11ENPP1P2RY2 | |
| Potassium Ion SCHEMBL247204 | 0.98 | ADORA1 (0.68) | ADORA1P2RY1P2RY11ENPP1P2RY2 | |
| SCHEMBL4280989 | 0.98 | ADORA1 (0.68) | ADORA1P2RY1P2RY11ENPP1P2RY2 | |
| SCHEMBL11430202 | 0.95 | DNPH1 (0.72) | ADORA1P2RY1P2RY11ENPP1P2RY2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11491175-B2 | Synergistic bioactive compositions for enhancing cellular energy | Celagenex Research (India) Pvt. Ltd. (IN) | 2022-11-08 | — | — | US | claimed |
| US-20220125815-A1 | SYNERGISTIC BIOACTIVE COMPOSITIONS FOR ENHANCING CELLULAR ENERGY | Celagenex Research (India) Pvt. Ltd. (IN) | 2022-04-28 | — | — | US | claimed |
| US-11311565-B2 | Synergistic nutritional compositions for promoting axonal regeneration | Celagenex Research (India) Pvt. Ltd. (IN) | 2022-04-26 | — | — | US | claimed |
| CN-113195003-B | Drug delivery system using solution | 国立大学法人京都大学 | 2024-12-31 | — | — | CN | disclosed |
| US-20240324640-A1 | METHODS AND COMPOSITIONS FOR IMPROVED TASTE QUALITY | ALMENDRA PTE LTD (SG) | 2024-10-03 | — | — | US | disclosed |
| WO-2024156447-A1 | MINERAL-FORTIFIED FOOD PRODUCT | UNILEVER IP HOLDINGS B.V. (NL) | 2024-08-02 | — | — | WO | disclosed |
| US-20240041078-A1 | METHODS AND COMPOSITIONS FOR IMPROVED TASTE QUALITY | ALMENDRA PTE LTD (SG) | 2024-02-08 | — | — | US | disclosed |
| EP-4282282-A2 | METHODS AND COMPOSITIONS FOR IMPROVED TASTE QUALITY | Almendra Pte. Ltd. (SG) | 2023-11-29 | — | — | EP | disclosed |
| EP-4009810-B1 | METHODS AND COMPOSITIONS FOR IMPROVED TASTE QUALITY | ALMENDRA PTE LTD (SG) | 2023-06-21 | — | — | EP | disclosed |
| CN-115334899-A | Methods and compositions for improving taste quality | 阿尔门德拉私人有限公司 | 2022-11-11 | — | — | CN | disclosed |
| US-11491175-B2 | Synergistic bioactive compositions for enhancing cellular energy | Celagenex Research (India) Pvt. Ltd. (IN) | 2022-11-08 | — | — | US | disclosed |
| US-20220264924-A1 | METHODS AND COMPOSITIONS FOR IMPROVED TASTE QUALITY | ALMENDRA PTE. LTD. (SG) | 2022-08-25 | — | — | US | disclosed |
| EP-4009810-A1 | METHODS AND COMPOSITIONS FOR IMPROVED TASTE QUALITY | Almendra Pte. Ltd. (SG) | 2022-06-15 | — | — | EP | disclosed |
| US-20220125815-A1 | SYNERGISTIC BIOACTIVE COMPOSITIONS FOR ENHANCING CELLULAR ENERGY | Celagenex Research (India) Pvt. Ltd. (IN) | 2022-04-28 | — | — | US | disclosed |
| US-11311565-B2 | Synergistic nutritional compositions for promoting axonal regeneration | Celagenex Research (India) Pvt. Ltd. (IN) | 2022-04-26 | — | — | US | disclosed |
| US-20220023207-A1 | DRUG DELIVERY SYSTEM USING SOLUTION | KYOTO UNIVERSITY (JP) | 2022-01-27 | — | — | US | disclosed |
| EP-3888693-A1 | DRUG DELIVERY SYSTEM USING SOLUTION | Kyoto University (JP) | 2021-10-06 | — | — | EP | 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 (4 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-20220125815-A1 | SYNERGISTIC BIOACTIVE COMPOSITIONS FOR ENHANCING CELLULAR ENERGY | ATIC, ADORA2A, NT5C2 | ADORA1 14/4885ADRB2 1281/4885PDE4D 666/4885 |
| US-11311565-B2 | Synergistic nutritional compositions for promoting axonal regeneration | ARG2, BDNF, NGF | ADORA1 813/4885ADRB2 3272/4885PDE4D 824/4885 |
| US-20220023207-A1 | DRUG DELIVERY SYSTEM USING SOLUTION | PDIA6, PDIA5, DUS2 | ADORA1 644/4885ADRB2 2533/4885PDE4D 3988/4885 |
| US-11491175-B2 | Synergistic bioactive compositions for enhancing cellular energy | ATIC, ADORA2A, NT5C2 | ADORA1 14/4885ADRB2 1281/4885PDE4D 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.