Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | ALB | P02768 | 12/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9013070 | 0.97 | CA12 (0.49) | CA12CA1CA2CA9HDAC6 | |
| SCHEMBL8983258 | 0.89 | CA12 (0.59) | CA12CA1CA2CA9HDAC6 | |
| SCHEMBL8983307 | 0.89 | CA12 (0.57) | CA12CA1CA2CA9HDAC6 | |
| SCHEMBL9297863 | 0.87 | HDAC6 (0.59) | CA12CA1CA2CA9HDAC6 | |
| SCHEMBL9012816 | 0.86 | CYP3A4 (0.46) | CA12CA1CA2CA9ALB | |
| SCHEMBL9013143 | 0.86 | CA12 (0.54) | CA12CA1CA2CA9HDAC6 | |
| SCHEMBL9013240 | 0.86 | CA12 (0.54) | CA12CA1CA2CA9HDAC6 | |
| SCHEMBL9012851 | 0.84 | HDAC6 (0.49) | CA12CA1CA2CA9HDAC6 | |
| SCHEMBL9308693 | 0.84 | HDAC6 (0.60) | CA12CA1CA2CA9HDAC6 | |
| SCHEMBL9013121 | 0.84 | CYP3A4 (0.47) | CA12CA1CA2CA9HDAC6 |
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-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 |