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 | 0.98 |
| ▸ | MAPT | P10636 | 3/20 | 0.98 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.98 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.98 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.98 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.98 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.98 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.98 |
| ▸ | GC | P02774 | 1/20 | 0.98 |
| ▸ | PGR | P06401 | 1/20 | 0.98 |
| ▸ | RXRA | P19793 | 1/20 | 0.98 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.98 |
| ▸ | CNR1 | P21554 | 1/20 | 0.98 |
| ▸ | HTR2C | P28335 | 1/20 | 0.98 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.98 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.98 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.98 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.98 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.98 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.98 |
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 SCHEMBL2733051 | 0.99 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL17973736 | 0.99 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL3488822 | 0.99 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL23386523 | 0.99 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL14027727 | 0.99 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL24066838 | 0.99 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL2641696 | 0.99 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL15169024 | 0.99 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL21055106 | 0.99 | VDR (1.00) | VDRMAPTADORA3SLC6A2AGTR1 | |
| Calcitriol SCHEMBL13989116 | 0.99 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8853188-B2 | Compositions and methods for cancer treatment | WOMEN AND INFANTS HOSPITAL OF RI, INC. (US) | 2014-10-07 | — | — | US | disclosed |
| US-20120270839-A1 | COMPOSITIONS AND METHODS FOR CANCER TREATMENT | WOMEN AND INFANTS HOSPITAL OF RI (US) | 2012-10-25 | — | — | US | disclosed |
| US-20100144671-A1 | Compositions and Methods for Cancer Treatment | WOMEN AND INFANTS HOSPITAL OF RI, INC. (US) | 2010-06-10 | — | — | US | disclosed |
| WO-2006096555-A1 | COMPOSITIONS AND METHODS FOR CANCER TREATMENT | WOMEN AND INFANTS HOSPITAL OF RI, INC. (US) | 2006-09-14 | — | — | 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-20120270839-A1 | COMPOSITIONS AND METHODS FOR CANCER TREATMENT | CYP24A1, BAX, BAD | VDR 4/4885MAPT 3125/4885ADORA3 1798/4885 |
| US-20100144671-A1 | Compositions and Methods for Cancer Treatment | CYP24A1, BAX, BAD | VDR 4/4885MAPT 3125/4885ADORA3 1798/4885 |
“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.