Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 12/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | ACHE | P22303 | 3/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL464149 | 0.87 | MTNR1A (0.50) | MTNR1AMTNR1BHDAC8CA1CA2 | |
| SCHEMBL15906487 | 0.83 | HDAC8 (0.57) | MTNR1AMTNR1BHDAC8CA1CA2 | |
| SCHEMBL354927 | 0.83 | MTNR1A (0.52) | MTNR1AMTNR1BHDAC8CA1CA2 | |
| SCHEMBL10247141 | 0.82 | KMT2A (0.54) | MTNR1AMTNR1BHDAC8CA1CA2 | |
| SCHEMBL355731 | 0.82 | CHRNB2 (0.44) | MTNR1AMTNR1BHDAC8CA1CA2 | |
| SCHEMBL10247157 | 0.82 | KMT2A (0.54) | MTNR1AMTNR1BHDAC8CA1CA2 | |
| SCHEMBL10253259 | 0.82 | MTNR1A (0.51) | MTNR1AMTNR1BHDAC8CA1CA2 | |
| SCHEMBL10283634 | 0.82 | DRD3 (0.45) | MTNR1AMTNR1BHDAC8CA1CA2 | |
| SCHEMBL354268 | 0.82 | MTNR1A (0.51) | MTNR1AMTNR1BHDAC8CA1CA2 | |
| SCHEMBL355191 | 0.81 | HDAC8 (0.59) | MTNR1AMTNR1BHDAC8CA1CA2 |
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-2012031993-A1 | NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-15 | — | — | WO | disclosed |