Sugi Predict

Sugi Predict / Compounds / Calcitriol

Calcitriol

Calcitriol

SCHEMBL225412

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O.C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)CC1(O)O

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

VDR

The experimentally established mechanism targets of Calcitriol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR known ✓ P11473 9/20 0.83
▸ MAPT P10636 3/20 0.83
▸ ADORA3 P0DMS8 2/20 0.83
▸ SLC6A2 P23975 2/20 0.83
▸ AGTR1 P30556 2/20 0.83
▸ SMN1; SMN2 Q16637 2/20 0.83
▸ NR1I2 O75469 1/20 0.83
▸ ABCB11 O95342 1/20 0.83
▸ GC P02774 1/20 0.83
▸ PGR P06401 1/20 0.83
▸ RXRA P19793 1/20 0.83
▸ CHRM3 P20309 1/20 0.83
▸ CNR1 P21554 1/20 0.83
▸ HTR2C P28335 1/20 0.83
▸ MAPK1 P28482 1/20 0.83
▸ SLC6A4 P31645 1/20 0.83
▸ ADRA1A P35348 1/20 0.83
▸ PTGS2 P35354 1/20 0.83
▸ OPRD1 P41143 1/20 0.83
▸ OPRK1 P41145 1/20 0.83

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.

Compoundsimilaritytop predictedshared targets
Calcitriol SCHEMBL5052699 0.94 VDR (0.93) VDRMAPTADORA3SLC6A2AGTR1
Calcitriol SCHEMBL3894035 0.94 VDR (0.93) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL10894072 0.92 MAPT (0.78) VDRMAPTADORA3SLC6A2AGTR1
Calcitriol SCHEMBL14027727 0.91 VDR (1.00) VDRMAPTADORA3SLC6A2AGTR1
Calcitriol SCHEMBL17973736 0.91 VDR (1.00) VDRMAPTADORA3SLC6A2AGTR1
Calcitriol SCHEMBL23386523 0.91 VDR (1.00) VDRMAPTADORA3SLC6A2AGTR1
Calcitriol SCHEMBL2733051 0.91 VDR (1.00) VDRMAPTADORA3SLC6A2AGTR1
Calcitriol SCHEMBL21055106 0.91 VDR (1.00) VDRMAPTADORA3SLC6A2AGTR1
Calcitriol SCHEMBL2641696 0.91 VDR (1.00) VDRMAPTADORA3SLC6A2AGTR1
Calcitriol SCHEMBL15169024 0.91 VDR (1.00) VDRMAPTADORA3SLC6A2AGTR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9987394-B2 Bone-like prosthetic implants MERETZKI SHAI (IL) 2018-06-05 — — US claimed
US-20120003185-A1 BONE-LIKE PROSTHETIC IMPLANTS MERETZKI SHAI (IL) 2012-01-05 — — US claimed
EP-2274023-A2 BONE-LIKE PROSTHETIC IMPLANTS Bonus Therapeutics Ltd (IL) 2011-01-19 — — EP claimed
WO-2009125402-A2 BONE-LIKE PROSTHETIC IMPLANTS BONUS THERAPEUTICS LTD (IL) 2009-10-15 — — WO claimed
US-20220105245-A1 BONE-LIKE PROSTHETIC IMPLANTS BONUS BIOGROUP LTD. (IL) 2022-04-07 — — US disclosed
US-11179499-B2 Bone-like prosthetic implants BONUS BIOGROUP LTD. (IL) 2021-11-23 — — US disclosed
US-20190038806-A1 BONE-LIKE PROSTHETIC IMPLANTS BONUS BIOGROUP LTD. (IL) 2019-02-07 — — US disclosed
US-9987394-B2 Bone-like prosthetic implants MERETZKI SHAI (IL) 2018-06-05 — — US disclosed
US-20120003185-A1 BONE-LIKE PROSTHETIC IMPLANTS MERETZKI SHAI (IL) 2012-01-05 — — US disclosed
EP-2274023-A2 BONE-LIKE PROSTHETIC IMPLANTS Bonus Therapeutics Ltd (IL) 2011-01-19 — — EP disclosed
WO-2009125402-A2 BONE-LIKE PROSTHETIC IMPLANTS BONUS THERAPEUTICS LTD (IL) 2009-10-15 — — WO disclosed
US-5502224-A ANTITUMOR AGENTS MARIGEN, S.A. (CH) 1996-03-26 — — US disclosed