Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ergocalciferol. 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 | 4/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 3/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | LMNA | P02545 | 2/20 | 1.00 |
| ▸ | HSPD1 | P10809 | 2/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 2/20 | 1.00 |
| ▸ | HSPE1 | P61604 | 2/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 2/20 | 1.00 |
| ▸ | AR | P10275 | 1/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | USP2 | O75604 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | ESR1 | P03372 | 1/20 | 1.00 |
| ▸ | TST | Q16762 | 1/20 | 1.00 |
| ▸ | MEN1 | O00255 | 4/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.71 |
| ▸ | PGR | P06401 | 3/20 | 0.71 |
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 | |
|---|---|---|---|---|
| Ergocalciferol SCHEMBL13693869 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL222899 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL13526523 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL12464764 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL24855744 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL14404820 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL24565106 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL3422 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL20510995 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL2390787 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230218754-A1 | PHARMACEUTICAL COMPOSITIONS WITH ANTI-RANKL ANTIBODIES, CALCIUM AND VITAMIN D | Karl, Christoph (CH) | 2023-07-13 | — | — | US | disclosed |
| EP-3433380-B1 | DRUGS, PHARMACOGENOMICS AND BIOMARKERS FOR ACTIVE LONGEVITY | UNIV INDIANA RES & TECH CORP (US) | 2022-06-08 | — | — | EP | disclosed |
| CN-110613696-B | Ergocalciferol capsule and preparation method thereof | 人福普克药业（武汉）有限公司 | 2022-04-22 | — | — | CN | disclosed |
| EP-3246032-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING ZOLEDRONIC ACID, CALCIUM AND VITAMIN D, SUITABLE FOR THE TREATMENT AND/OR PROPHYLAXIS OF DISEASES RELATED TO BONE METABOLISM AND OF TREATMENT-RELATED SIDE EFFECTS SUCH AS HYPOCALCAEMIA | KARL CHRISTOPH (CH) | 2021-08-11 | — | — | EP | disclosed |
| CN-110613696-A | Ergocalciferol capsule and preparation method thereof | 人福普克药业（武汉）有限公司 | 2019-12-27 | — | — | CN | disclosed |
| US-20190290756-A1 | PHARMACEUTICAL COMPOSITIONS WITH ANTI-RANKL ANTIBODIES, CALCIUM AND VITAMIN D | Karl, Christoph (CH) | 2019-09-26 | — | — | US | disclosed |
| EP-3433380-A1 | DRUGS, PHARMACOGENOMICS AND BIOMARKERS FOR ACTIVE LONGEVITY | Indiana University Research & Technology Corporation (US) | 2019-01-30 | — | — | EP | disclosed |
| US-20180267065-A1 | METHODS RELATING TO THE MEASUREMENT OF VITAMIN D AND VITAMIN D METABOLITES | TRUSTEES OF BOSTON UNIVERSITY (US) | 2018-09-20 | — | — | US | disclosed |
| EP-3246032-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING ZOLEDRONIC ACID, CALCIUM AND VITAMIN D, SUITABLE FOR THE TREATMENT AND/OR PROPHYLAXIS OF DISEASES RELATED TO BONE METABOLISM AND OF TREATMENT-RELATED SIDE EFFECTS SUCH AS HYPOCALCAEMIA | Karl, Christoph (CH) | 2017-11-22 | — | — | EP | disclosed |
| WO-2017165423-A1 | DRUGS, PHARMACOGENOMICS AND BIOMARKERS FOR ACTIVE LONGEVITY | INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) | 2017-09-28 | — | — | WO | disclosed |