Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1120168 | 0.97 | FDPS (0.57) | FDPSALDH1A1TDP1KDM4EMMP2 | |
| Water SCHEMBL7060881 | 0.81 | FDPS (0.56) | FDPS | |
| SCHEMBL10785210 | 0.81 | FDPS (0.67) | FDPSKDM4EMMP2THRBMAPK1 | |
| SCHEMBL3854503 | 0.80 | FDPS (0.61) | FDPSALDH1A1TDP1 | |
| SCHEMBL5572725 | 0.79 | GGPS1 (0.43) | FDPS | |
| SCHEMBL5011539 | 0.78 | FDPS (0.62) | FDPS | |
| SCHEMBL5832092 | 0.76 | FDPS (0.64) | FDPS | |
| SCHEMBL11320226 | 0.76 | FDPS (0.64) | FDPS | |
| SCHEMBL328945 | 0.76 | FDPS (0.64) | FDPS | |
| SCHEMBL6239566 | 0.76 | FDPS (0.64) | FDPS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1848728-A1 | IBANDRONATE POLYMORPH A | F.HOFFMANN-LA ROCHE AG (CH) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006081963-A1 | IBANDRONATE POLYMORPH A | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-10 | — | — | WO | disclosed |