Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | SLCO1B3 | Q9NPD5 | 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 | |
|---|---|---|---|---|
| SCHEMBL9012811 | 0.97 | HDAC6 (0.46) | HDAC6CA12CA1CA2CA9 | |
| SCHEMBL9012823 | 0.85 | CYP3A4 (0.41) | LMNAALDH1A1MAPTNFKB1THPO | |
| SCHEMBL9013130 | 0.84 | GMNN (0.47) | HDAC6CA12CA1CA2CA9 | |
| SCHEMBL9012814 | 0.82 | CYP3A4 (0.42) | HDAC6LMNAALDH1A1MAPTNFKB1 | |
| SCHEMBL9012797 | 0.81 | HDAC6 (0.50) | HDAC6CA12CA1CA2CA9 | |
| SCHEMBL9012851 | 0.80 | HDAC6 (0.49) | HDAC6CA12CA1CA2CA9 | |
| SCHEMBL9012789 | 0.80 | CYP3A4 (0.47) | LMNAALDH1A1MAPTNFKB1THPO | |
| SCHEMBL9012727 | 0.80 | GMNN (0.42) | HDAC6CA12CA1CA2CA9 | |
| SCHEMBL9013115 | 0.79 | GMNN (0.43) | HDAC6CA12CA1CA2CA9 | |
| SCHEMBL8983365 | 0.79 | HDAC6 (0.55) | HDAC6CA12CA1CA2CA9 |
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-0580642-B1 | AMINOACYL DERIVATIVES OF GEM-DIPHOSPHONIC ACIDS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA (IT) | 1996-11-06 | — | — | EP | disclosed |
| US-5446187-A | Aminoacyl derivatives of gem-diphosphonic acids, a process for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1995-08-29 | — | — | US | disclosed |
| WO-1992018512-A1 | AMINOACYL DERIVATIVES OF GEM-DIPHOSPHONIC ACIDS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-10-29 | — | — | WO | disclosed |