Alendronic Acid

Alendronic Acid

SCHEMBL5608575

NCCCC(O)(P(=O)([O-])[O-])P(=O)(O)O.[K+].[K+]

nearest known ligand 0.73

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 10)

geneUniProtsupporting neighboursconfidence
FDPS known ✓ P14324 18/20 0.73
PDE3A Q14432 2/20 0.73
LMNA P02545 2/20 0.54
ADRB3 P13945 1/20 0.54
PDE4D Q08499 1/20 0.54
GGPS1 O95749 7/20 0.44
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

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 SCHEMBL5608824 0.98 FDPS (0.70) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL429804 0.96 FDPS (0.79) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL7831396 0.94 FDPS (0.76) FDPSPDE3ALMNAADRB3PDE4D
Neridronic Acid SCHEMBL10607521 0.89 FDPS (0.75) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL7744621 0.88 FDPS (0.92) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL4270336 0.88 FDPS (0.87) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL4279500 0.87 FDPS (0.64) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL7751945 0.86 FDPS (0.89) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL7749180 0.86 FDPS (0.89) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL4279503 0.86 FDPS (0.83) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758594-A1 COMBINATION FOR INHIBITING BONE RESORPTION COMPRISING A BISPHOSPONATE (ALENDRONA) AND A VITAMIN D (CHOLECALCIFEROL) Merck and Co., Inc. (US) 2007-03-07 EP disclosed
WO-2005117906-A1 COMBINATION FOR INHIBITING BONE RESORPTION COMPRISING A BISPHOSPONATE (ALENDRONA) AND A VITAMIN D (CHOLECALCIFEROL) MERCK & CO., INC. (US) 2005-12-15 WO disclosed
US-20050261250-A1 Compositions and methods for inhibiting bone resorption MERCK & CO., INC., 2005-11-24 US disclosed
US-20050176685-A1 Method for inhibiting bone resorption with an alendronate and vitamin d formulation DAIFOTIS ANASTASIA G (US) 2005-08-11 US disclosed
EP-1494683-A1 METHOD FOR INHIBITING BONE RESORPTION WITH AN ALENDRONATE AND VITAMIN D FORMULATION Merck & Co., Inc. (US) 2005-01-12 EP disclosed
EP-1458400-A1 LIQUID BISPHOSPHONATE FORMULATIONS FOR BONE DISORDERS Merck & Co., Inc. (US) 2004-09-22 EP disclosed
WO-2003086415-A1 METHOD FOR INHIBITING BONE RESORPTION WITH AN ALENDRONATE AND VITAMIN D FORMULATION MERCK & CO., INC. (US) 2003-10-23 WO disclosed
US-20030195171-A1 Method for inhibiting bone resorption with an alendronate and vitamin D formulation DAIFOTIS ANASTASIA G (US) 2003-10-16 US disclosed
US-20030139378-A1 Liquid bisphosphonate formulations for bone disorders DAIFOTIS ANASTASIA G (US) 2003-07-24 US disclosed
WO-2003051373-A1 LIQUID BISPHOSPHONATE FORMULATIONS FOR BONE DISORDERS MERCK & CO., INC. (US) 2003-06-26 WO 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 (3 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030195171-A1 Method for inhibiting bone resorption with an alendronate and vitamin D formulation CYP24A1, PTH1R, VDR FDPS 1094/4885PDE3A 2307/4885LMNA 3150/4885
US-20050261250-A1 Compositions and methods for inhibiting bone resorption PTH1R, CYP24A1, VDR FDPS 632/4885PDE3A 1161/4885LMNA 2307/4885
US-20050176685-A1 Method for inhibiting bone resorption with an alendronate and vitamin d formulation CYP24A1, VDR, PTH1R FDPS 1234/4885PDE3A 2572/4885LMNA 3201/4885

“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.