Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Calcitriol. 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 | |
|---|---|---|---|---|
| ▸ | VDR known ✓ | P11473 | 10/20 | 1.00 |
| ▸ | MAPT | P10636 | 3/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 2/20 | 1.00 |
| ▸ | AGTR1 | P30556 | 2/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | GC | P02774 | 1/20 | 1.00 |
| ▸ | PGR | P06401 | 1/20 | 1.00 |
| ▸ | RXRA | P19793 | 1/20 | 1.00 |
| ▸ | CHRM3 | P20309 | 1/20 | 1.00 |
| ▸ | CNR1 | P21554 | 1/20 | 1.00 |
| ▸ | HTR2C | P28335 | 1/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 1/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 1/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 1/20 | 1.00 |
| ▸ | PTGS2 | P35354 | 1/20 | 1.00 |
| ▸ | OPRD1 | P41143 | 1/20 | 1.00 |
| ▸ | OPRK1 | P41145 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Calcitriol SCHEMBL13749608 | 1.00 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL39703 | 1.00 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL2867274 | 1.00 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL93587 | 1.00 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL24066838 | 1.00 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL9048511 | 1.00 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL23386523 | 1.00 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL7115065 | 1.00 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL21055106 | 1.00 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL15263133 | 1.00 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230251277-A1 | METHOD FOR DETERMINING THE LEVEL OF VITAMIN D AND METABOLITES THEREOF | ROCHE DIAGNOSTICS OPERATIONS, INC. | 2023-08-10 | — | — | US | disclosed |
| US-20190293667-A1 | Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits | TECAN SP, INC. (US) | 2019-09-26 | — | — | US | disclosed |
| US-20160282371-A1 | Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits | QUANTALYTICAL LABS INC. (US) | 2016-09-29 | — | — | US | disclosed |
| US-20160282371-A1 | Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits | QUANTALYTICAL LABS INC. (US) | 2016-09-29 | — | — | US | disclosed |
| US-9188596-B2 | Quantitative analysis of vitamin D3, vitamin D2, and metabolites thereof | DH TECHNOLOGIES DEVELOPMENT PTE. LTD (SG) | 2015-11-17 | — | — | US | disclosed |
| US-9188596-B2 | Quantitative analysis of vitamin D3, vitamin D2, and metabolites thereof | DH TECHNOLOGIES DEVELOPMENT PTE. LTD (SG) | 2015-11-17 | — | — | US | disclosed |
| US-20140127825-A1 | QUANTITATIVE ANALYSIS OF VITAMIN D3, VITAMIN D2, AND METABOLITES THEREOF | DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) | 2014-05-08 | — | — | US | disclosed |
| US-20140127825-A1 | QUANTITATIVE ANALYSIS OF VITAMIN D3, VITAMIN D2, AND METABOLITES THEREOF | DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) | 2014-05-08 | — | — | US | disclosed |
| US-20130053356-A1 | 2-METHYLENE-19,23,24-TRINOR-1ALPHA-HYDROXYVITAMIN D3 | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2013-02-28 | — | — | US | disclosed |
| US-20120172336-A2 | Fosfluconazole Derivatives, Synthesis, and Use in Long Acting Formulations | SEPS PHARMA N.V. (BE) | 2012-07-05 | — | — | US | disclosed |
| US-20120172336-A2 | Fosfluconazole Derivatives, Synthesis, and Use in Long Acting Formulations | SEPS PHARMA N.V. (BE) | 2012-07-05 | — | — | US | disclosed |
| US-20120010173-A1 | Fosfluconazole Derivatives, Synthesis, and Use in Long Acting Formulations | SEPS PHARMA N.V. (BE) | 2012-01-12 | — | — | US | disclosed |
| US-20120010173-A1 | Fosfluconazole Derivatives, Synthesis, and Use in Long Acting Formulations | SEPS PHARMA N.V. (BE) | 2012-01-12 | — | — | US | disclosed |
| US-20110183429-A1 | QUANTITATIVE ANALYSIS OF VITAMIN D3, VITAMIN D2, AND METABOLITES THEREOF | DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) | 2011-07-28 | — | — | US | disclosed |
| US-20110183429-A1 | QUANTITATIVE ANALYSIS OF VITAMIN D3, VITAMIN D2, AND METABOLITES THEREOF | DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) | 2011-07-28 | — | — | US | disclosed |
| WO-2010105910-A1 | FOSFLUCONAZOLE DERIVATIVES, SYNTHESIS, AND USE IN LONG ACTING FORMULATIONS | SEPS PHARMA N.V. (BE) | 2010-09-23 | — | — | WO | disclosed |
| US-20090137828-A1 | Synthesis of 1A-Fluoro-25-Hydroxy-16-23E-Diene-26,27-Bishomo-20-Epi-Cholecalciferol | BIOXELL S.P.A. (IT) | 2009-05-28 | — | — | US | disclosed |
| US-20090099140-A1 | 20-Alkyl, Gemini Vitamin D3 Compounds and Methods of Use Thereof | BIOXELL S.P.A. (IT) | 2009-04-16 | — | — | US | disclosed |
| US-20080280859-A1 | GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF | BIOXELL S.P.A. (IT) | 2008-11-13 | — | — | 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 (7 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-20080280859-A1 | GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF | VDR, GC, CYP24A1 | VDR 1/4885MAPT 2629/4885ADORA3 57/4885 |
| US-20090137828-A1 | Synthesis of 1A-Fluoro-25-Hydroxy-16-23E-Diene-26,27-Bishomo-20-Epi-Cholecalciferol | CYP24A1, CYP2R1, CYP27B1 | VDR 4/4885MAPT 3871/4885ADORA3 1837/4885 |
| US-20120172336-A2 | Fosfluconazole Derivatives, Synthesis, and Use in Long Acting Formulations | CYP2F1, CYP51A1, CYP3A5 | VDR 1222/4885MAPT 1998/4885ADORA3 140/4885 |
| US-20130053356-A1 | 2-METHYLENE-19,23,24-TRINOR-1ALPHA-HYDROXYVITAMIN D3 | CYP24A1, CYP2R1, CYP27B1 | VDR 4/4885MAPT 4563/4885ADORA3 1078/4885 |
| US-20190293667-A1 | Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits | CYP2C8, CES2, UGT1A8 | VDR 1881/4885MAPT 2114/4885ADORA3 3939/4885 |
| US-20090099140-A1 | 20-Alkyl, Gemini Vitamin D3 Compounds and Methods of Use Thereof | VDR, CYP24A1, CYP2R1 | VDR 1/4885MAPT 3551/4885ADORA3 65/4885 |
| US-20120010173-A1 | Fosfluconazole Derivatives, Synthesis, and Use in Long Acting Formulations | CYP2F1, CYP3A5, CYP51A1 | VDR 737/4885MAPT 3123/4885ADORA3 61/4885 |
“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.