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 SCHEMBL13301741 | 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 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021234003-A1 | BENZYLPYRIDINIUM REAGENT FOR MASS SPECTROMETRY | F. HOFFMANN-LA ROCHE AG (CH) | 2021-11-25 | — | — | WO | disclosed |