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 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.78 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.78 |
| ▸ | LMNA | P02545 | 2/20 | 0.78 |
| ▸ | HSPD1 | P10809 | 2/20 | 0.78 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.78 |
| ▸ | HSPE1 | P61604 | 2/20 | 0.78 |
| ▸ | AR | P10275 | 1/20 | 0.78 |
| ▸ | TSHR | P16473 | 1/20 | 0.78 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.78 |
| ▸ | USP2 | O75604 | 1/20 | 0.78 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.78 |
| ▸ | ESR1 | P03372 | 1/20 | 0.78 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.78 |
| ▸ | TST | Q16762 | 1/20 | 0.78 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
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 SCHEMBL10125342 | 0.88 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL3421 | 0.88 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL3228635 | 0.88 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL24565106 | 0.88 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL12322071 | 0.88 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL24855744 | 0.88 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL4140479 | 0.88 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL9980609 | 0.88 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL3420 | 0.88 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL3025863 | 0.88 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2070911-A2 | Stabilized 1Alpha-Hydroxy vitamin D | Bone Care International, Inc. (US) | 2009-06-17 | — | — | EP | disclosed |
| US-20050148558-A1 | Crystalline, solvent free, storage stable cis form 1-alphahydroxyvitamin D2; tosylating 3-position hydroxy group, cyclization, hydroxylating in 1 alpha position and decyclization to cis and trans vitamin forms; irradiating conversion of trans to cis; recrystallizing and vacuum oven drying | BONE CARE INTERNATIONAL, INC. (US) | 2005-07-07 | — | — | US | disclosed |
| US-6903083-B2 | Stabilized hydroxyvitamin D | BONE CARE INTERNATIONAL, INC. (US) | 2005-06-07 | — | — | US | disclosed |
| EP-1301479-A2 | STABILIZED 1$g(a)-HYDROXY VITAMIN D | Bone Care International, Inc. (US) | 2003-04-16 | — | — | EP | disclosed |
| US-20030045509-A1 | Hydroxyvitamin D characterized by a purity equal to or greater than 98% by a weight-based HPLC assay, residual solvents of 0.5% or less, a total impurity of 1. 5% or less, and no single impurity of greater than 0.5%. | BONE CARE INTERNATIONAL, INC. | 2003-03-06 | — | — | US | disclosed |
| WO-2002006218-A2 | STABILIZED 1α-HYDROXY VITAMIN D | BONE CARE INTERNATIONAL, INC. (US) | 2002-01-24 | — | — | 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-20050148558-A1 | Crystalline, solvent free, storage stable cis form 1-alphahydroxyvitamin D2; tosylating 3-position hydroxy group, cyclization, hydroxylating in 1 alpha position and decyclization to cis and trans vitamin forms; irradiating conversion of trans to cis; recrystallizing and vacuum oven drying | CYP24A1, CYP2R1, VDR | VDR 3/4885ALDH1A1 1488/4885ALOX15 652/4885 |
| US-20030045509-A1 | Hydroxyvitamin D characterized by a purity equal to or greater than 98% by a weight-based HPLC assay, residual solvents of 0.5% or less, a total impurity of 1. 5% or less, and no single impurity of greater than 0.5%. | CYP24A1, CYP2R1, CYP27B1 | VDR 4/4885ALDH1A1 349/4885ALOX15 70/4885 |
“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.