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 SCHEMBL12346036 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL3421 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL12322071 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL3228635 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL24855744 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL4140479 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL24565106 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL3420 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL20510995 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4LMNAHSPD1 | |
| Ergocalciferol SCHEMBL10034120 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2556053-B1 | (20S)-2-METHYLENE-19-NOR-22-DIMETHYL-1ALPHA,25- DIHYDROXYVITAMIN D3 AND (20R)-2-METHYLENE-19-NOR-22-DIMETHYL-1ALPHA,25-HYDROXYVITAMIN D3 | WISCONSIN ALUMNI RES FOUND (US) | 2015-07-29 | — | — | EP | disclosed |
| US-20130006003-A1 | NEW SYNTHONES FOR PREPARATION OF 19-NOR VITAMIN D DERIVATIVES | INSTYTUT FARMACEUTYCZNY (PL) | 2013-01-03 | — | — | US | disclosed |
| US-20120108554-A1 | PROCESS FOR PREPARING HIGH PURITY 1alpha-HYDROXY VITAMIN D2 | FORMOSA LABORATORIES, INC. (TW) | 2012-05-03 | — | — | US | disclosed |
| US-20120108554-A1 | PROCESS FOR PREPARING HIGH PURITY 1alpha-HYDROXY VITAMIN D2 | FORMOSA LABORATORIES, INC. (TW) | 2012-05-03 | — | — | US | disclosed |
| WO-2011119610-A2 | (20S)-2-METHYLENE-19-NOR-22-DIMETHYL-1α,25- DIHYDROXYVITAMIN D3 AND (20R)-2-METHYLENE-19-NOR-22- DIMETHYL-1α,25-HYDROXYVITAMIN D3 | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2011-09-29 | — | — | WO | disclosed |
| US-20110237556-A1 | (20S)-2-METHYLENE-19-NOR-22-DIMETHYL-1alpha,25-DIHYDROXYVITAMIN D3 AND (20R)-2-METHYLENE-19-NOR-22-DIMETHYL-1alpha,25-HYDROXYVITAMIN D3 | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2011-09-29 | — | — | US | disclosed |
| US-20110237556-A1 | (20S)-2-METHYLENE-19-NOR-22-DIMETHYL-1alpha,25-DIHYDROXYVITAMIN D3 AND (20R)-2-METHYLENE-19-NOR-22-DIMETHYL-1alpha,25-HYDROXYVITAMIN D3 | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2011-09-29 | — | — | US | disclosed |
| US-20110073810-A1 | PROCESS FOR PREPARING ISOTOPICALLY LABELED VITAMINS SUITABLE FOR USE AS ANALYTICAL REFERENCE STANDARDS | FIRST NIAGARA BANK, N.A. | 2011-03-31 | — | — | US | disclosed |
| US-7491712-B1 | Process for preparation of paricalcitol and intermediates thereof | FORMOSA LABORATORIES, INC. (TW) | 2009-02-17 | — | — | US | disclosed |
| US-20070088007-A1 | Method for preparing analogue of vitamin D | FORMOSA LABORATORIES, INC. (TW) | 2007-04-19 | — | — | US | disclosed |
| US-20070088007-A1 | Method for preparing analogue of vitamin D | FORMOSA LABORATORIES, INC. (TW) | 2007-04-19 | — | — | 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 (5 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-20070088007-A1 | Method for preparing analogue of vitamin D | CYP24A1, CYP2R1, VDR | VDR 3/4885ALDH1A1 827/4885ALOX15 505/4885 |
| US-20120108554-A1 | PROCESS FOR PREPARING HIGH PURITY 1alpha-HYDROXY VITAMIN D2 | CYP24A1, CYP2R1, DHCR24 | VDR 5/4885ALDH1A1 2401/4885ALOX15 2579/4885 |
| US-20110073810-A1 | PROCESS FOR PREPARING ISOTOPICALLY LABELED VITAMINS SUITABLE FOR USE AS ANALYTICAL REFERENCE STANDARDS | CYP24A1, VDR, CYP2R1 | VDR 2/4885ALDH1A1 1314/4885ALOX15 1032/4885 |
| US-20130006003-A1 | NEW SYNTHONES FOR PREPARATION OF 19-NOR VITAMIN D DERIVATIVES | CYP24A1, CYP2R1, VDR | VDR 3/4885ALDH1A1 2186/4885ALOX15 824/4885 |
| US-20110237556-A1 | (20S)-2-METHYLENE-19-NOR-22-DIMETHYL-1alpha,25-DIHYDROXYVITAMIN D3 AND (20R)-2-METHYLENE-19-NOR-22-DIMETHYL-1alpha,25-HYDROXYVITAMIN D3 | CYP24A1, CYP27B1, CYP2R1 | VDR 4/4885ALDH1A1 938/4885ALOX15 248/4885 |
“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.