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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 known ✓ | O75874 | 1/20 | 0.33 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
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 SCHEMBL8030477 | 0.97 | IDH1 (0.35) | IDH1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL630723 | 0.73 | APEX1 (0.30) | — | |
| Water SCHEMBL27941642 | 0.69 | IDH1 (0.39) | IDH1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL147816 | 0.69 | APEX1 (0.31) | — | |
| SCHEMBL9062088 | 0.67 | IDH1 (0.33) | IDH1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL1994660 | 0.67 | APEX1 (0.30) | — | |
| SCHEMBL210023 | 0.67 | — | — | |
| SCHEMBL11716446 | 0.67 | CSNK2A2 (0.39) | CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL11365061 | 0.67 | APEX1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL28935113 | 0.67 | APEX1 (0.30) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4267591-A2 | ORGANOMETALLIC COMPOUNDS | Umicore AG & Co. KG (DE) | 2023-11-01 | — | — | EP | claimed |
| CN-116802187-A | Organometallic compounds | 优米科尔股份公司及两合公司 | 2023-09-22 | — | — | CN | claimed |
| CN-116375907-A | Method for producing sugammadex | 默沙东有限责任公司 | 2023-07-04 | — | — | CN | claimed |
| US-20220177444-A1 | PREPARATION OF SUBSTITUTED PYRAZOLES AND THEIR USE AS ANTHRANILAMIDES PRECURSORS | ADAMA MAKHTESHIM LTD. (IL) | 2022-06-09 | — | — | US | claimed |
| EP-3956314-A1 | PREPARATION OF SUBSTITUTED PYRAZOLES AND THEIR USE AS ANTHRANILAMIDES PRECURSORS | Adama Makhteshim Ltd. (IL) | 2022-02-23 | — | — | EP | claimed |
| CN-113874356-A | Preparation of substituted pyrazoles and their use as anthranilamide precursors | 安道麦马克西姆有限公司 | 2021-12-31 | — | — | CN | claimed |
| WO-2020212991-A1 | PREPARATION OF SUBSTITUTED PYRAZOLES AND THEIR USE AS ANTHRANILAMIDES PRECURSORS | ADAMA MAKHTESHIM LTD. (IL) | 2020-10-22 | — | — | WO | claimed |
| US-20240208903-A1 | ACID ADDITION SALTS OF (S)-3-(2,5-DIMETHOXY-4-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE AND (S)-3-(2-METHOXY-5-(METHYLTHIO)-4-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE, SPECIFIC POLYMORPHS THEREOF AND METHODS FOR THEIR MANUFACTURE | Lophora ApS (DK) | 2024-06-27 | — | — | US | disclosed |
| US-20240116965-A1 | ORGANOMETALLIC COMPOUNDS | UMICORE AG & CO. KG (DE) | 2024-04-11 | — | — | US | disclosed |
| EP-4267591-A2 | ORGANOMETALLIC COMPOUNDS | Umicore AG & Co. KG (DE) | 2023-11-01 | — | — | EP | disclosed |
| CN-116802187-A | Organometallic compounds | 优米科尔股份公司及两合公司 | 2023-09-22 | — | — | CN | disclosed |
| US-20220177444-A1 | PREPARATION OF SUBSTITUTED PYRAZOLES AND THEIR USE AS ANTHRANILAMIDES PRECURSORS | ADAMA MAKHTESHIM LTD. (IL) | 2022-06-09 | — | — | US | disclosed |
| EP-3956314-A1 | PREPARATION OF SUBSTITUTED PYRAZOLES AND THEIR USE AS ANTHRANILAMIDES PRECURSORS | Adama Makhteshim Ltd. (IL) | 2022-02-23 | — | — | EP | disclosed |
| WO-2020212991-A1 | PREPARATION OF SUBSTITUTED PYRAZOLES AND THEIR USE AS ANTHRANILAMIDES PRECURSORS | ADAMA MAKHTESHIM LTD. (IL) | 2020-10-22 | — | — | WO | 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-20240208903-A1 | ACID ADDITION SALTS OF (S)-3-(2,5-DIMETHOXY-4-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE AND (S)-3-(2-METHOXY-5-(METHYLTHIO)-4-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE, SPECIFIC POLYMORPHS THEREOF AND METHODS FOR THEIR MANUFACTURE | CYP2D6, CYP3A5, CYP2B6 | IDH1 813/4885CSNK2A2 2911/4885CSNK2B 2928/4885 |
| US-20220177444-A1 | PREPARATION OF SUBSTITUTED PYRAZOLES AND THEIR USE AS ANTHRANILAMIDES PRECURSORS | CYP2F1, PPOX, CYP11B2 | IDH1 124/4885CSNK2A2 805/4885CSNK2B 957/4885 |
| US-20240116965-A1 | ORGANOMETALLIC COMPOUNDS | DDT, PPOX, PDCD2L | IDH1 81/4885CSNK2A2 3392/4885CSNK2B 3533/4885 |
“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.