Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 15/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.44 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | MAP3K5 | Q99683 | 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 | |
|---|---|---|---|---|
| SCHEMBL653154 | 0.84 | HDAC1 (0.45) | HDAC1HDAC2CHEK2KCNH2 | |
| SCHEMBL651416 | 0.84 | HDAC1 (0.58) | HDAC1HDAC2HDAC3KCNH2 | |
| SCHEMBL4120548 | 0.79 | HDAC1 (0.76) | HDAC1HDAC2HDAC3KCNH2 | |
| SCHEMBL653107 | 0.79 | KCNH2 (0.49) | HDAC1CHEK2KCNH2 | |
| SCHEMBL4126494 | 0.78 | HDAC1 (0.58) | HDAC1HDAC2P2RY14HDAC3CHEK2 | |
| SCHEMBL2684526 | 0.77 | HDAC1 (0.45) | HDAC1HDAC2P2RY14HDAC3 | |
| SCHEMBL4282116 | 0.76 | HDAC1 (0.54) | HDAC1HDAC2P2RY14HDAC3CHEK2 | |
| SCHEMBL1930616 | 0.75 | HDAC1 (0.64) | HDAC1HDAC2HDAC3 | |
| SCHEMBL1931248 | 0.73 | HDAC1 (0.55) | HDAC1HDAC2HDAC3 | |
| SCHEMBL1931108 | 0.73 | HDAC1 (0.53) | HDAC1HDAC2HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-8119685-B2 | Disubstituted aniline compounds | MERCK SHARP & DOHME CORP. (US) | 2012-02-21 | — | — | US | disclosed |