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 | |
|---|---|---|---|---|
| ▸ | ING2 | Q9H160 | 1/20 | 0.45 |
| ▸ | NT5E | P21589 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.42 |
| ▸ | NSD2 | O96028 | 4/20 | 0.40 |
| ▸ | CASP6 | P55212 | 4/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.40 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 SCHEMBL5097425 | 1.00 | ING2 (0.45) | ING2NT5EALDH1A1HSD17B10KDM4E | |
| Water SCHEMBL5097055 | 1.00 | ING2 (0.45) | ING2NT5EALDH1A1HSD17B10KDM4E | |
| Water SCHEMBL29115284 | 0.98 | ING2 (0.47) | ING2NT5EALDH1A1HSD17B10KDM4E | |
| SCHEMBL17627830 | 0.98 | ING2 (0.47) | ING2NT5EALDH1A1HSD17B10KDM4E | |
| SCHEMBL28747107 | 0.98 | ING2 (0.47) | ING2NT5EALDH1A1HSD17B10KDM4E | |
| SCHEMBL772207 | 0.98 | ING2 (0.47) | ING2NT5EALDH1A1HSD17B10KDM4E | |
| SCHEMBL3309996 | 0.98 | ING2 (0.47) | ING2NT5EALDH1A1HSD17B10KDM4E | |
| Water SCHEMBL7784437 | 0.98 | ING2 (0.47) | ING2NT5EALDH1A1HSD17B10KDM4E | |
| Water SCHEMBL30643892 | 0.98 | ING2 (0.47) | ING2NT5EALDH1A1HSD17B10KDM4E | |
| SCHEMBL22221 | 0.98 | ING2 (0.47) | ING2NT5EALDH1A1HSD17B10KDM4E |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117343205-A | Iron-carboxyl maltose compound with specific redox degradation characteristics and preparation method thereof | 南京生命能科技开发有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-113018256-B | Preparation process of ferric carboxymaltose injection | 金陵药业股份有限公司 | 2023-02-17 | — | — | CN | disclosed |
| CN-113018255-B | Preparation method of ferric carboxymaltose injection | 金陵药业股份有限公司 | 2023-02-17 | — | — | CN | disclosed |
| CN-115177625-A | Carboxyl ferric maltose pharmaceutical composition and preparation method thereof | 金陵药业股份有限公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-113018256-A | Preparation process of ferric carboxymaltose injection | 金陵药业股份有限公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-113018255-A | Preparation method of ferric carboxymaltose injection | 金陵药业股份有限公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-105125578-B | A kind of sugar-iron complexes with high dissolution velocity and preparation method thereof | 南京生命能科技开发有限公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-105520955-A | Ferric carboxymaltose pharmaceutical composition and preparation method thereof | NANJING LIFENERGY R&D CO LTD | 2016-04-27 | — | — | CN | disclosed |
| CN-105125578-A | High-dissolution-rate sugar-iron compound and preparation method thereof | NANJING LIFENERGY R&D CO LTD | 2015-12-09 | — | — | CN | disclosed |
| US-8263803-B2 | Preparation of metallic dihydroxybenzene-disulfonates | RHODIA OPERATIONS (FR) | 2012-09-11 | — | — | US | disclosed |
| US-20100056823-A1 | PREPARATION OF METALLIC DIHYDROXYBENZENEDISULFONATES | RHODIA OPERATIONS (FR) | 2010-03-04 | — | — | 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-20100056823-A1 | PREPARATION OF METALLIC DIHYDROXYBENZENEDISULFONATES | TST, DDT, STS | ING2 3463/4885NT5E 4687/4885ALDH1A1 677/4885 |
“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.