Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Calcifediol Anhydrous. 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 | 8/20 | 0.82 |
| ▸ | MAPT | P10636 | 5/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 1.00 |
| ▸ | SREBF1 | P36956 | 1/20 | 1.00 |
| ▸ | MEN1 | O00255 | 3/20 | 0.82 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.82 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.82 |
| ▸ | PGR | P06401 | 2/20 | 0.82 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.82 |
| ▸ | CDC25A | P30304 | 1/20 | 0.82 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.82 |
| ▸ | HPGD | P15428 | 1/20 | 0.82 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.82 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.82 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.82 |
| ▸ | DRD3 | P35462 | 1/20 | 0.82 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.82 |
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 | |
|---|---|---|---|---|
| Calcifediol Anhydrous SCHEMBL10018928 | 1.00 | MAPT (1.00) | MAPTSMN1; SMN2SREBF1VDRMEN1 | |
| Calcifediol Anhydrous SCHEMBL9933434 | 1.00 | MAPT (1.00) | MAPTSMN1; SMN2SREBF1VDRMEN1 | |
| Calcifediol Anhydrous SCHEMBL3296 | 1.00 | MAPT (1.00) | MAPTSMN1; SMN2SREBF1VDRMEN1 | |
| Calcifediol Anhydrous SCHEMBL24102681 | 1.00 | MAPT (1.00) | MAPTSMN1; SMN2SREBF1VDRMEN1 | |
| Calcifediol Anhydrous SCHEMBL5614025 | 1.00 | MAPT (1.00) | MAPTSMN1; SMN2SREBF1VDRMEN1 | |
| Calcifediol Anhydrous SCHEMBL24051907 | 1.00 | MAPT (1.00) | MAPTSMN1; SMN2SREBF1VDRMEN1 | |
| Calcifediol Anhydrous SCHEMBL14112503 | 1.00 | MAPT (1.00) | MAPTSMN1; SMN2SREBF1VDRMEN1 | |
| Calcifediol Anhydrous SCHEMBL24571935 | 1.00 | MAPT (1.00) | MAPTSMN1; SMN2SREBF1VDRMEN1 | |
| Calcifediol Anhydrous SCHEMBL22403256 | 1.00 | MAPT (1.00) | MAPTSMN1; SMN2SREBF1VDRMEN1 | |
| Calcifediol Anhydrous SCHEMBL12349027 | 1.00 | MAPT (1.00) | MAPTSMN1; SMN2SREBF1VDRMEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019154237-A1 | CO-CRYSTAL OF CALCIFEDIOL AND VITAMIN D3, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2019-08-15 | — | — | WO | disclosed |
| US-8853188-B2 | Compositions and methods for cancer treatment | WOMEN AND INFANTS HOSPITAL OF RI, INC. (US) | 2014-10-07 | — | — | US | disclosed |
| 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-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 |
| US-20100144671-A1 | Compositions and Methods for Cancer Treatment | WOMEN AND INFANTS HOSPITAL OF RI, INC. (US) | 2010-06-10 | — | — | 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 (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 3125/4885SMN1; SMN2 1643/4885 |
| US-20100144671-A1 | Compositions and Methods for Cancer Treatment | CYP24A1, BAX, BAD | VDR 4/4885MAPT 3125/4885SMN1; SMN2 1643/4885 |
“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.