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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | NT5E | P21589 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 SCHEMBL1614964 | 1.00 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL23269 | 0.96 | CA5A (0.39) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL27433721 | 0.96 | CA5A (0.39) | CA5ACA5BTSHRCA1CA2 | |
| Ammonia Solution, Strong SCHEMBL5760496 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL14974666 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL16756653 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL17510158 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL29170918 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL2571875 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 | |
| SCHEMBL26603592 | 0.92 | CA5A (0.36) | CA5ACA5BTSHRCA1CA2 |
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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115385871-A | Shuxinding salt | 沪亚生物国际有限公司 | 2022-11-25 | — | — | CN | claimed |
| CN-106795187-A | new tenofovir salt | JW制药公司 | 2017-05-31 | — | — | CN | claimed |
| EP-4504736-A1 | SOLID FORMS, PHARMACEUTICAL COMPOSITIONS AND PREPARATION OF HETEROAROMATIC MACROCYCLIC ETHER COMPOUNDS | Nuvalent, Inc. (US) | 2025-02-12 | — | — | EP | disclosed |
| US-20240409535-A1 | SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE | GENENTECH, INC. (US) | 2024-12-12 | — | — | US | disclosed |
| US-20240317738-A1 | SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE | GENENTECH, INC. (US) | 2024-09-26 | — | — | US | disclosed |
| CN-118515596-A | Solid forms and methods of making fused tricyclic compounds, including methods of use thereof | 豪夫迈·罗氏有限公司 | 2024-08-20 | — | — | CN | disclosed |
| CN-112437685-B | Solid forms and methods of making fused tricyclic compounds, including methods of use thereof | 豪夫迈·罗氏有限公司 | 2024-08-09 | — | — | CN | disclosed |
| WO-2023196900-A9 | SOLID FORMS, PHARMACEUTICAL COMPOSITIONS AND PREPARATION OF HETEROAROMATIC MACROCYCLIC ETHER COMPOUNDS | NUVALENT, INC. (US) | 2024-07-04 | — | — | WO | disclosed |
| CN-118239948-A | Solid forms and methods of making fused tricyclic compounds, including methods of use thereof | 豪夫迈·罗氏有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-117946107-A | Solid forms and methods of making fused tricyclic compounds, including methods of use thereof | 豪夫迈·罗氏有限公司 | 2024-04-30 | — | — | CN | disclosed |
| EP-4295845-A2 | SOLID FORMS OF THE TARTRATE SALT OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL, PROCESS FOR THEIR PREPARATION AND METHODS OF THEIR USE IN TREATING CANCERS | F. Hoffmann-La Roche AG (CH) | 2023-12-27 | — | — | EP | disclosed |
| US-20090221638-A1 | CRYSTALLINE FORM OF A BIPHENYL COMPOUND | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-09-03 | — | — | US | disclosed |
| US-7521558-B2 | Crystalline form of a biphenyl compound | THERAVANCE, INC. (US) | 2009-04-21 | — | — | US | disclosed |
| CN-101006077-A | Biphenyl compounds in crystalline form | THERAVANCE INC (US) | 2007-07-25 | — | — | CN | disclosed |
| EP-1778672-A1 | CRYSTALLINE FORM OF A BIPHENYL COMPOUND | Theravance, Inc. (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006023454-A1 | CRYSTALLINE FORM OF A BIPHENYL COMPOUND | THERAVANCE, INC. (US) | 2006-03-02 | — | — | WO | disclosed |
| US-20060035931-A1 | Crystalline form of a biphenyl compound | THERAVANCE, INC. | 2006-02-16 | — | — | US | disclosed |
| US-20060004037-A1 | Novel tricyclic compounds and related methods of treatment | TRANSFORM PHARMACEUTICALS, INC. (US) | 2006-01-05 | — | — | US | disclosed |
| WO-2005092065-A2 | NOVEL TRICYCLIC COMPOUNDS AND RELATED METHODS OF TREATMENT | TRANSFORM PHARMACEUTICALS, INC. (US) | 2005-10-06 | — | — | WO | disclosed |
| US-5006570-A | Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics | LABORATOIRES DELAGRANGE (FR) | 1991-04-09 | — | — | 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 (5 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-20060035931-A1 | Crystalline form of a biphenyl compound | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 | CA5A 113/4885CA5B 16/4885TSHR 3734/4885 |
| US-20060004037-A1 | Novel tricyclic compounds and related methods of treatment | ABCC1, ABCB1, ABCC3 | CA5A 140/4885CA5B 258/4885TSHR 4203/4885 |
| US-20090221638-A1 | CRYSTALLINE FORM OF A BIPHENYL COMPOUND | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 | CA5A 113/4885CA5B 16/4885TSHR 3734/4885 |
| US-20240409535-A1 | SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE | TP53, DPYD, FLI1 | CA5A 2330/4885CA5B 2419/4885TSHR 943/4885 |
| US-20240317738-A1 | SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE | TP53, DPYD, FLI1 | CA5A 2330/4885CA5B 2419/4885TSHR 943/4885 |
“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.