Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.55 |
| ▸ | THPO | P40225 | 2/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.55 |
| ▸ | GMNN | O75496 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.55 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.55 |
| ▸ | FDPS | P14324 | 10/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5845234 | 0.99 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL8819367 | 0.85 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL9297863 | 0.84 | HDAC6 (0.59) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL8983259 | 0.83 | HIF1A (0.52) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL9308693 | 0.82 | HDAC6 (0.60) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL9123170 | 0.82 | GMNN (0.51) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL8983307 | 0.82 | CA12 (0.57) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL8983258 | 0.82 | CA12 (0.59) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL9012800 | 0.81 | CA12 (0.55) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL9013207 | 0.81 | CA12 (0.55) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997049711-A1 | DERIVATIVES OF CARBOXY GEM-BISPHOSPHONATES WITH ANTITUMOR ACTIVITY, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1997-12-31 | — | — | WO | disclosed |