Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 13/20 | 0.36 |
| ▸ | BTN3A1 | O00481 | 5/20 | 0.35 |
| ▸ | GGPS1 | O95749 | 7/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | ENO1 | P06733 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2459294 | 0.91 | ALDH1A1 (0.39) | ALDH1A1FDPSBTN3A1ENO1 | |
| SCHEMBL2456971 | 0.84 | FDPS (0.51) | ALDH1A1FDPSBTN3A1GGPS1PDE3A | |
| SCHEMBL2457078 | 0.83 | FDPS (0.50) | ALDH1A1FDPSBTN3A1GGPS1PDE3A | |
| SCHEMBL2454837 | 0.83 | ALDH1A1 (0.40) | ALDH1A1FDPSBTN3A1GGPS1PDE3A | |
| SCHEMBL2459061 | 0.82 | BTN3A1 (0.40) | ALDH1A1FDPSBTN3A1GGPS1PDE3A | |
| SCHEMBL9189766 | 0.79 | FDPS (0.41) | ALDH1A1FDPSGGPS1ENO1 | |
| SCHEMBL2459616 | 0.76 | ALDH1A1 (0.44) | ALDH1A1FDPSBTN3A1PDE3AENO1 | |
| SCHEMBL2458967 | 0.75 | FDPS (0.42) | ALDH1A1FDPSBTN3A1PDE3AENO1 | |
| SCHEMBL3976360 | 0.74 | FDPS (0.57) | FDPSGGPS1PDE3AAGTR1OPRM1 | |
| SCHEMBL9188504 | 0.74 | FDPS (0.41) | ALDH1A1FDPSBTN3A1PDE3AENO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0416689-B1 | Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors | MERCK & CO INC (US) | 1995-11-29 | — | — | EP | disclosed |
| US-5227506-A | Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors | MERCK & CO., INC. (US) | 1993-07-13 | — | — | US | disclosed |
| EP-0416689-A2 | Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors | MERCK & CO. INC. (US) | 1991-03-13 | — | — | EP | disclosed |