Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Alfacalcidol. 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 | 9/20 | 0.83 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 2/20 | 1.00 |
| ▸ | AGTR1 | P30556 | 2/20 | 1.00 |
| ▸ | MAPT | P10636 | 4/20 | 0.82 |
| ▸ | PGR | P06401 | 2/20 | 0.82 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.82 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.82 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.82 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.82 |
| ▸ | GC | P02774 | 1/20 | 0.82 |
| ▸ | RXRA | P19793 | 1/20 | 0.82 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.82 |
| ▸ | CNR1 | P21554 | 1/20 | 0.82 |
| ▸ | HTR2C | P28335 | 1/20 | 0.82 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.82 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.82 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.82 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.82 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| Alfacalcidol SCHEMBL3063 | 1.00 | ADORA3 (1.00) | ADORA3SLC6A2AGTR1VDRMAPT | |
| Alfacalcidol SCHEMBL14100119 | 1.00 | ADORA3 (1.00) | ADORA3SLC6A2AGTR1VDRMAPT | |
| Alfacalcidol SCHEMBL679694 | 1.00 | ADORA3 (1.00) | ADORA3SLC6A2AGTR1VDRMAPT | |
| Alfacalcidol SCHEMBL2392772 | 1.00 | ADORA3 (1.00) | ADORA3SLC6A2AGTR1VDRMAPT | |
| Alfacalcidol SCHEMBL5829634 | 1.00 | ADORA3 (1.00) | ADORA3SLC6A2AGTR1VDRMAPT | |
| Alfacalcidol SCHEMBL24066856 | 1.00 | ADORA3 (1.00) | ADORA3SLC6A2AGTR1VDRMAPT | |
| Alfacalcidol SCHEMBL5502503 | 1.00 | ADORA3 (1.00) | ADORA3SLC6A2AGTR1VDRMAPT | |
| Alfacalcidol SCHEMBL20677327 | 1.00 | ADORA3 (1.00) | ADORA3SLC6A2AGTR1VDRMAPT | |
| Alfacalcidol SCHEMBL21283513 | 1.00 | ADORA3 (1.00) | ADORA3SLC6A2AGTR1VDRMAPT | |
| Alfacalcidol SCHEMBL9050240 | 1.00 | ADORA3 (1.00) | ADORA3SLC6A2AGTR1VDRMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7019146-B1 | Ferrocene compound and use thereof | CHUGAI SEIYAKU KABUSHIKI KAISYA (JP) | 2006-03-28 | — | — | US | disclosed |
| EP-1533316-A1 | FERROCENE COMPOUND AND USE THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-05-25 | — | — | EP | disclosed |