Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Calcipotriene. 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 | 13/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 3/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 2/20 | 1.00 |
| ▸ | PGR | P06401 | 2/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 2/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 2/20 | 1.00 |
| ▸ | PTGS2 | P35354 | 2/20 | 1.00 |
| ▸ | HTR1A | P08908 | 1/20 | 1.00 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.67 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
| ▸ | GC | P02774 | 1/20 | 0.64 |
| ▸ | RXRA | P19793 | 1/20 | 0.64 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.64 |
| ▸ | CNR1 | P21554 | 1/20 | 0.64 |
| ▸ | HTR2C | P28335 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| Calcipotriene SCHEMBL3278752 | 1.00 | VDR (1.00) | VDRADORA3SLC6A2NR1I2PGR | |
| Calcipotriene SCHEMBL13287283 | 1.00 | VDR (1.00) | VDRADORA3SLC6A2NR1I2PGR | |
| Calcipotriene SCHEMBL21849105 | 1.00 | VDR (1.00) | VDRADORA3SLC6A2NR1I2PGR | |
| Calcipotriene SCHEMBL5001249 | 1.00 | VDR (1.00) | VDRADORA3SLC6A2NR1I2PGR | |
| Calcipotriene SCHEMBL24066882 | 1.00 | VDR (1.00) | VDRADORA3SLC6A2NR1I2PGR | |
| Calcipotriene SCHEMBL2455291 | 1.00 | VDR (1.00) | VDRADORA3SLC6A2NR1I2PGR | |
| Calcipotriene SCHEMBL23339038 | 1.00 | VDR (1.00) | VDRADORA3SLC6A2NR1I2PGR | |
| Calcipotriene SCHEMBL22364326 | 1.00 | VDR (1.00) | VDRADORA3SLC6A2NR1I2PGR | |
| Calcipotriene SCHEMBL22364325 | 1.00 | VDR (1.00) | VDRADORA3SLC6A2NR1I2PGR | |
| Calcipotriene SCHEMBL22364327 | 1.00 | VDR (1.00) | VDRADORA3SLC6A2NR1I2PGR |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1844010-B1 | ISOMERISATION OF PHARMACEUTICAL INTERMEDIATES | LEO PHARMA AS (DK) | 2013-02-13 | — | — | EP | claimed |
| US-8362287-B2 | Stereoselective synthesis of vitamin D analogues | LEO PHARMA A/S (DK) | 2013-01-29 | — | — | US | claimed |
| EP-1470220-B1 | SELECTIVE ENZYMATIC ESTERIFICATION AND SOLVOLYSIS OF EPIMERIC VITAMIN D ANALOG AND SEPARATION OF THE EPIMERS | TEVA PHARMA (IL) | 2011-10-05 | — | — | EP | claimed |
| EP-1789384-B1 | EPIMERISATION OF ALLYLIC ALCOHOLS | LEO PHARMA AS (DK) | 2008-10-15 | — | — | EP | claimed |
| EP-1730108-B1 | STEREOSELECTIVE SYNTHESIS OF VITAMIN D ANALOGUES | LEO PHARMA AS (DK) | 2008-03-26 | — | — | EP | claimed |
| US-20070255066-A1 | Epimerisation of Allylic Alcohols | LEO PHARMA A/S (DK) | 2007-11-01 | — | — | US | claimed |
| US-20070215455-A1 | Isomerisation of pharmaceutical intermediates | LEO PHARMA A/S (DK) | 2007-09-20 | — | — | US | claimed |
| US-20070027333-A1 | Stereoselective synthesis of vitamin d analogues | LEO PHARMA A/S (DK) | 2007-02-01 | — | — | US | claimed |
| US-8362287-B2 | Stereoselective synthesis of vitamin D analogues | LEO PHARMA A/S (DK) | 2013-01-29 | — | — | US | disclosed |
| US-7829746-B2 | Process for the preparation of calcipotriol | INSTYTUT FARMACEUTYCZNY (PL) | 2010-11-09 | — | — | US | disclosed |
| US-20100222614-A1 | PROCESS FOR THE PREPARATION OF CALCIPOTRIOL | INSTYTUT FARMACEUTYCZNY (PL) | 2010-09-02 | — | — | US | disclosed |
| US-7700580-B2 | Process for preparation of pharmaceutically pure anhydrous calcipotriol | INSTYTUT FARMACEUTYCZNY (PL) | 2010-04-20 | — | — | US | disclosed |
| US-20070255066-A1 | Epimerisation of Allylic Alcohols | LEO PHARMA A/S (DK) | 2007-11-01 | — | — | US | disclosed |
| US-20070215455-A1 | Isomerisation of pharmaceutical intermediates | LEO PHARMA A/S (DK) | 2007-09-20 | — | — | US | disclosed |
| US-20070088007-A1 | Method for preparing analogue of vitamin D | FORMOSA LABORATORIES, INC. (TW) | 2007-04-19 | — | — | US | disclosed |
| US-20070027333-A1 | Stereoselective synthesis of vitamin d analogues | LEO PHARMA A/S (DK) | 2007-02-01 | — | — | US | disclosed |
| US-5691328-A | ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; SKIN DISORDERS | CLARION PHARMACEUTICALS INC. (US) | 1997-11-25 | — | — | 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-20070255066-A1 | Epimerisation of Allylic Alcohols | CYP24A1, CYP2R1, VDR | VDR 3/4885ADORA3 530/4885SLC6A2 2372/4885 |
| US-20070027333-A1 | Stereoselective synthesis of vitamin d analogues | CYP24A1, CYP2R1, VDR | VDR 3/4885ADORA3 500/4885SLC6A2 3587/4885 |
| US-20070088007-A1 | Method for preparing analogue of vitamin D | CYP24A1, CYP2R1, VDR | VDR 3/4885ADORA3 247/4885SLC6A2 4112/4885 |
| US-20070215455-A1 | Isomerisation of pharmaceutical intermediates | CYP24A1, CYP2R1, VDR | VDR 3/4885ADORA3 339/4885SLC6A2 2901/4885 |
| US-20100222614-A1 | PROCESS FOR THE PREPARATION OF CALCIPOTRIOL | CYP2R1, CYP24A1, DHCR24 | VDR 4/4885ADORA3 1682/4885SLC6A2 3536/4885 |
“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.