Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 9/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.46 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.38 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL653316 | 0.85 | HDAC1 (0.70) | HDAC1KCNH2HDAC2HDAC3HDAC6 | |
| SCHEMBL4579995 | 0.77 | HDAC1 (0.75) | HDAC1KCNH2HDAC2HDAC3MAPT | |
| SCHEMBL4312605 | 0.72 | HDAC1 (0.53) | HDAC1KCNH2HDAC2CHEK2HDAC3 | |
| SCHEMBL650082 | 0.72 | HDAC1 (0.74) | HDAC1KCNH2HDAC2HDAC3HDAC6 | |
| SCHEMBL3643629 | 0.71 | HDAC1 (0.77) | HDAC1KCNH2HDAC2HDAC3HDAC6 | |
| SCHEMBL3643627 | 0.71 | HDAC1 (0.73) | HDAC1KCNH2HDAC2HDAC3 | |
| SCHEMBL4120548 | 0.70 | HDAC1 (0.76) | HDAC1KCNH2HDAC2HDAC3 | |
| SCHEMBL9983570 | 0.70 | HDAC1 (0.49) | HDAC1HDAC2HDAC3ALDH1A1HDAC6 | |
| SCHEMBL4578938 | 0.69 | HDAC1 (0.74) | HDAC1KCNH2HDAC2HDAC3 | |
| SCHEMBL3774949 | 0.69 | HDAC1 (0.74) | HDAC1KCNH2HDAC2HDAC3 |
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-2013196-A2 | DISUBSTITUTED ANILINE COMPOUNDS | Merck & Co., Inc. (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007127137-A2 | DISUBSTITUTED ANILINE COMPOUNDS | MERCK & CO., INC. (US) | 2007-11-08 | — | — | WO | disclosed |