Known targets — ChEMBL curated mechanism
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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 18/20 | 0.80 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.80 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.59 |
| ▸ | GGPS1 | O95749 | 7/20 | 0.53 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Alendronic Acid SCHEMBL6129658 | 0.93 | FDPS (0.69) | FDPSPDE3ALMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL6270347 | 0.89 | FDPS (1.00) | FDPSPDE3ALMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL18898 | 0.89 | FDPS (1.00) | FDPSPDE3ALMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL167772 | 0.87 | FDPS (0.95) | FDPSPDE3ALMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL4646147 | 0.87 | FDPS (0.95) | FDPSPDE3ALMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL1115700 | 0.87 | FDPS (0.95) | FDPSPDE3ALMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL14645375 | 0.87 | FDPS (0.95) | FDPSPDE3ALMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL19614558 | 0.87 | FDPS (0.95) | FDPSPDE3ALMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL140619 | 0.87 | FDPS (0.95) | FDPSPDE3ALMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL579001 | 0.87 | FDPS (0.95) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6214564-B1 | DETECTION OF LIGANDS CONTROLLING ENZYMATIC ACTIVITY; INCUBATION OF GENETICALLY ENGINEERED POLYPEPTIDE WITH TEST LIGAND AND MEASURE ENZYMATIC ACTIVITY | MERCK & CO., INC. | 2001-04-10 | — | — | US | disclosed |
| US-5866397-A | OSTEOBLAST DIFFERENTIATION | MERCK & CO., INC. (US) | 1999-02-02 | — | — | US | disclosed |
| US-5658756-A | CDNA encoding a novel human protein tyrosine phosphatase | MERCK & CO., INC. (US) | 1997-08-19 | — | — | US | disclosed |