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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.51 |
| ▸ | MPL | P40238 | 4/20 | 0.46 |
| ▸ | CTRC | Q99895 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ATIC | P31939 | 1/20 | 0.40 |
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 SCHEMBL30497466 | 1.00 | CYP2D6 (0.51) | CYP2D6CTRB1MPLCTRCCA1 | |
| Water SCHEMBL29039927 | 1.00 | CYP2D6 (0.51) | CYP2D6CTRB1MPLCTRCCA1 | |
| Water SCHEMBL3923037 | 1.00 | CYP2D6 (0.51) | CYP2D6CTRB1MPLCTRCCA1 | |
| Water SCHEMBL29022568 | 0.98 | CTRB1 (0.50) | CYP2D6CTRB1MPLCTRCCA1 | |
| SCHEMBL41541 | 0.98 | CYP2D6 (0.53) | CYP2D6CTRB1MPLCTRCCA1 | |
| SCHEMBL4578484 | 0.96 | CYP2D6 (0.51) | CYP2D6CTRB1MPLCTRCCA1 | |
| SCHEMBL5077155 | 0.96 | CYP2D6 (0.51) | CYP2D6CTRB1MPLCTRCCA1 | |
| SCHEMBL3233255 | 0.96 | CYP2D6 (0.51) | CYP2D6CTRB1MPLCTRCCA1 | |
| SCHEMBL4314625 | 0.96 | CYP2D6 (0.51) | CYP2D6CTRB1MPLCTRCCA1 | |
| SCHEMBL3233245 | 0.96 | CYP2D6 (0.51) | CYP2D6CTRB1MPLCTRCCA1 |
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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105073740-A | Salt and crystal form or amorphous substance of compound, preparation method thereof, pharmaceutical composition containing salt and crystal form or amorphous substance and application of pharmaceutical composition | HANGZHOU PUSHAI PHARMACEUTICAL TECHNOLOGY CO LTD | 2015-11-18 | — | — | CN | claimed |
| US-20070213257-A1 | COMPOSITIONS AND METHODS FOR COMPLEXES OF NUCLEIC ACIDS AND PEPTIDES | NASTECH PHARMACEUTICAL COMPANY INC. | 2007-09-13 | — | — | US | claimed |
| CN-111848586-B | Compounds and methods for inhibiting JAK | 迪哲(江苏)医药股份有限公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-111132959-B | Method for producing compound and compound | 富士胶片株式会社 | 2023-07-28 | — | — | CN | disclosed |
| CN-111646980-B | Compounds and methods for inhibiting JAK | 迪哲(江苏)医药股份有限公司 | 2021-08-27 | — | — | CN | disclosed |
| CN-111606893-B | Compounds and methods for inhibiting JAK | 迪哲(江苏)医药股份有限公司 | 2021-05-04 | — | — | CN | disclosed |
| CN-111848586-A | Compounds and methods for inhibiting JAK | 迪哲（江苏）医药有限公司 | 2020-10-30 | — | — | CN | disclosed |
| CN-111646980-A | Compounds and methods for inhibiting JAK | 迪哲（江苏）医药有限公司 | 2020-09-11 | — | — | CN | disclosed |
| CN-111606893-A | Compounds and methods for inhibiting JAK | 迪哲（江苏）医药有限公司 | 2020-09-01 | — | — | CN | disclosed |
| CN-108368091-B | Compounds and methods for inhibiting JAK | 迪哲（江苏）医药有限公司 | 2020-08-11 | — | — | CN | disclosed |
| CN-111132959-A | Method for producing compound and compound | 富士胶片株式会社 | 2020-05-08 | — | — | CN | disclosed |
| US-20050171083-A1 | Modified release pharmaceutical formulation | ASTRAZENECA AB (SE) | 2005-08-04 | — | — | US | disclosed |
| EP-1554272-A1 | BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE | ELI LILLY AND COMPANY (US) | 2005-07-20 | — | — | EP | disclosed |
| EP-1513495-A1 | MODIFIED RELEASE PHARMACEUTICAL FORMULATION | AstraZeneca AB (SE) | 2005-03-16 | — | — | EP | disclosed |
| EP-1513496-A1 | IMMEDIATE RELEASE PHARMACEUTICAL FORMULATION | AstraZeneca AB (SE) | 2005-03-16 | — | — | EP | disclosed |
| EP-1513806-A1 | NEW SALTS | AstraZeneca AB (SE) | 2005-03-16 | — | — | EP | disclosed |
| WO-2004014900-A1 | BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE | ELI LILLY AND COMPANY (US) | 2004-02-19 | — | — | WO | disclosed |
| WO-2003101423-A1 | IMMEDIATE RELEASE PHARMACEUTICAL FORMULATION | ASTRAZENECA AB (SE) | 2003-12-11 | — | — | WO | disclosed |
| WO-2003101424-A1 | MODIFIED RELEASE PHARMACEUTICAL FORMULATION | ASTRAZENECA AB (SE) | 2003-12-11 | — | — | WO | disclosed |
| WO-2003101957-A1 | NEW SALTS | ASTRAZENECA AB (SE) | 2003-12-11 | — | — | 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 (2 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-20070213257-A1 | COMPOSITIONS AND METHODS FOR COMPLEXES OF NUCLEIC ACIDS AND PEPTIDES | NSUN2, NOP2, POLRMT | CYP2D6 4838/4885CTRB1 572/4885MPL 4726/4885 |
| US-20050171083-A1 | Modified release pharmaceutical formulation | F12, CSNK1A1, CRHR1 | CYP2D6 1365/4885CTRB1 418/4885MPL 3664/4885 |
“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.