Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | CA2 | P00918 | 6/20 | 0.38 |
| ▸ | ACHE | P22303 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL415810 | 0.88 | HDAC8 (0.48) | HDAC8MTNR1AMTNR1BCA1CA2 | |
| SCHEMBL415355 | 0.83 | MTNR1A (0.41) | HDAC8DRD2MTNR1AMTNR1BCA1 | |
| SCHEMBL416742 | 0.82 | MAPT (0.47) | DRD2DRD3ACHEALDH1A1HSD17B10 | |
| SCHEMBL469741 | 0.82 | HDAC8 (0.53) | HDAC8HDAC6 | |
| SCHEMBL469867 | 0.81 | HDAC8 (0.63) | HDAC8ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL464353 | 0.80 | HDAC8 (0.76) | HDAC8ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL883735 | 0.78 | RAB9A (0.42) | CA1CA2ALDH1A1HPGDTSHR | |
| SCHEMBL469781 | 0.75 | MTNR1A (0.51) | HDAC8DRD2DRD4DRD3MTNR1A | |
| SCHEMBL17269807 | 0.74 | ALDH1A1 (0.42) | DRD2DRD4DRD3MTNR1AMTNR1B | |
| SCHEMBL803162 | 0.73 | ACHE (0.42) | ACHEALDH1A1HPGDTSHRHSD17B10 |
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 |