Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 11/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4282110 | 0.90 | HDAC1 (0.49) | HDAC1HDAC2CHEK2HDAC3KCNH2 | |
| SCHEMBL10121375 | 0.84 | HDAC1 (0.49) | HDAC1HDAC2HDAC3KCNH2CYP17A1 | |
| SCHEMBL651518 | 0.84 | HDAC1 (0.52) | HDAC1HDAC2HDAC3KCNH2CYP17A1 | |
| SCHEMBL8172813 | 0.84 | HDAC1 (0.46) | HDAC1HDAC2KCNH2CYP17A1MAPT | |
| SCHEMBL1705492 | 0.84 | HDAC1 (0.51) | HDAC1HDAC2HDAC3CYP17A1GAA | |
| SCHEMBL4126494 | 0.83 | HDAC1 (0.58) | HDAC1HDAC2CHEK2HDAC3KCNH2 | |
| SCHEMBL650774 | 0.83 | HDAC1 (0.59) | HDAC1HDAC2HDAC3KCNH2HDAC4 | |
| SCHEMBL30091854 | 0.83 | HDAC1 (0.59) | HDAC1HDAC2HDAC3KCNH2HDAC4 | |
| SCHEMBL15856234 | 0.83 | MAPT (0.52) | HDAC1CYP17A1GAAMAPTMAPK1 | |
| SCHEMBL25244303 | 0.83 | HDAC1 (0.43) | HDAC1HDAC2HDAC3KCNH2CYP17A1 |
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 |