Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F12 | P00748 | 1/20 | 0.36 |
| ▸ | GRK6 | P43250 | 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 | |
|---|---|---|---|---|
| SCHEMBL4049526 | 0.88 | ADORA3 (0.38) | CYP1A2HDAC1HDAC6ADORA3ADORA2A | |
| SCHEMBL5360457 | 0.85 | HDAC6 (0.53) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL4051945 | 0.85 | CYP1A2 (0.43) | CYP1A2ADORA3ADORA2AADORA1F2 | |
| SCHEMBL4047830 | 0.82 | MAPT (0.47) | — | |
| SCHEMBL4050469 | 0.80 | CYP1A2 (0.40) | CYP1A2HDAC1HDAC6HDAC3HDAC2 | |
| SCHEMBL4048868 | 0.80 | ADORA3 (0.41) | CYP1A2HDAC1HDAC6ADORA3ADORA2A | |
| SCHEMBL8112180 | 0.73 | HDAC6 (0.72) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL5363015 | 0.72 | MAPT (0.60) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL14345530 | 0.71 | HDAC6 (0.47) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL3955607 | 0.71 | SIRT1 (0.42) | HDAC1HDAC6HDAC3HDAC4HDAC7 |
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-2009026701-A1 | SIRTUIN INHIBITORS | METHYLGENE INC. (CA) | 2009-03-05 | — | — | WO | disclosed |