Alendronic Acid

Alendronic Acid

SCHEMBL6129658

CC(O)(P(=O)(O)O)P(=O)(O)O.NCCC(O)(P(=O)(O)O)P(=O)(O)O.NCCCC(O)(P(=O)(O)O)P(=O)(O)O.O.O.O.[NaH].[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

FDPS

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

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS known ✓ P14324 18/20 0.69
PDE3A Q14432 3/20 0.69
LMNA P02545 2/20 0.62
ADRB3 P13945 1/20 0.62
PDE4D Q08499 1/20 0.62
GGPS1 O95749 7/20 0.47
AGTR1 P30556 1/20 0.36
OPRM1 P35372 1/20 0.36

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
Alendronic Acid SCHEMBL7920174 0.93 FDPS (0.80) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL5974480 0.87 FDPS (0.91) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL192828 0.87 FDPS (0.91) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL5973522 0.87 FDPS (0.91) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL1268399 0.87 FDPS (0.91) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL1130855 0.87 FDPS (0.91) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL1268401 0.87 FDPS (0.91) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL7831398 0.87 FDPS (0.91) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL5973509 0.87 FDPS (0.91) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL6743637 0.87 FDPS (0.91) FDPSPDE3ALMNAADRB3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150684-A4 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SLOAN KETTERING INSTITUTEFOR C (US) 2005-06-15 EP disclosed
WO-2000047214-A9 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SLOAN KETTERING INST CANCER (US) 2002-04-11 WO disclosed
EP-1150684-A1 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS Sloan-Kettering Institute For Cancer Research (US) 2001-11-07 EP disclosed
WO-2000047214-A1 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2000-08-17 WO disclosed