Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL8983372 | 0.81 | CYP3A4 (0.46) | HDAC6CYP2D6GMNNALDH1A1LMNA | |
| SCHEMBL9308693 | 0.79 | HDAC6 (0.60) | HDAC6CYP2D6GMNNALDH1A1LMNA | |
| SCHEMBL9297863 | 0.78 | HDAC6 (0.59) | HDAC6CYP2D6GMNNALDH1A1LMNA | |
| SCHEMBL8983307 | 0.76 | CA12 (0.57) | HDAC6CYP2D6GMNNALDH1A1LMNA | |
| SCHEMBL8983258 | 0.76 | CA12 (0.59) | HDAC6CYP2D6GMNNALDH1A1LMNA | |
| SCHEMBL5845234 | 0.76 | ALDH1A1 (0.56) | HDAC6CYP2D6GMNNALDH1A1LMNA | |
| SCHEMBL8983331 | 0.75 | HDAC6 (0.53) | HDAC6CYP2D6GMNNALDH1A1LMNA | |
| SCHEMBL9013207 | 0.75 | CA12 (0.55) | HDAC6CYP2D6GMNNALDH1A1LMNA | |
| SCHEMBL9012800 | 0.75 | CA12 (0.55) | HDAC6CYP2D6GMNNALDH1A1LMNA | |
| SCHEMBL9013157 | 0.75 | CA12 (0.55) | HDAC6CYP2D6GMNNALDH1A1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0593437-B1 | GEM-DIPHOSPHONIC ACIDS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA (IT) | 1996-05-08 | — | — | EP | disclosed |
| EP-0593437-A1 | GEM-DIPHOSPHONIC ACIDS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. | BOEHRINGER MANNHEIM ITALIA (IT) | 1994-04-27 | — | — | EP | disclosed |
| US-5300671-A | Gem-diphosphonic acids, and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1994-04-05 | — | — | US | disclosed |
| WO-1991005791-A1 | GEM-DIPHOSPHONIC ACIDS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1991-05-02 | — | — | WO | disclosed |