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 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 SCHEMBL19386228 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9024039-B2 | Heterocycles and derivatives thereof and methods of manufacture and therapeutic use | WOMEN & INFANTS' HOSPITAL OF RHODE ISLAND (US) | 2015-05-05 | — | — | US | disclosed |
| US-9024039-B2 | Heterocycles and derivatives thereof and methods of manufacture and therapeutic use | WOMEN & INFANTS' HOSPITAL OF RHODE ISLAND (US) | 2015-05-05 | — | — | US | disclosed |
| US-7645911-B2 | Such as 1-alpha-acetoxy-3,5-cyclo-(20S)-(diphenylphosphonium)-10-hydroxyl-cyclovitamin D2 1-acetate, 6-methyl ether; ozonolysis; dehydrogenation; crystallization | FORMOSA LABORATORIES, INC. (TW) | 2010-01-12 | — | — | US | disclosed |
| US-20090221529-A1 | HETEROCYCLES AND DERIVATIVES THEREOF AND METHODS OF MANUFACTURE AND THERAPEUTIC USE | WOMEN'S & INFANTS HOSPITAL OF RHODE ISLAND (US) | 2009-09-03 | — | — | US | disclosed |
| US-20090221529-A1 | HETEROCYCLES AND DERIVATIVES THEREOF AND METHODS OF MANUFACTURE AND THERAPEUTIC USE | WOMEN'S & INFANTS HOSPITAL OF RHODE ISLAND (US) | 2009-09-03 | — | — | US | disclosed |
| US-20090149678-A1 | PROCESS FOR PREPARATION OF PARICALCITOL AND INTERMEDIATES THEREOF | FORMOSA LABORATORIES, INC. (TW) | 2009-06-11 | — | — | US | disclosed |
| US-7402688-B2 | 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-07-22 | — | — | US | disclosed |
| US-7402688-B2 | 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-07-22 | — | — | 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-20090221529-A1 | HETEROCYCLES AND DERIVATIVES THEREOF AND METHODS OF MANUFACTURE AND THERAPEUTIC USE | CYP2R1, CYP24A1, VDR | VDR 3/4885ALDH1A1 957/4885ALOX15 168/4885 |
| US-20090149678-A1 | PROCESS FOR PREPARATION OF PARICALCITOL AND INTERMEDIATES THEREOF | CYP24A1, PTH1R, CYP2R1 | VDR 4/4885ALDH1A1 3514/4885ALOX15 356/4885 |
“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.