Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.61 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.61 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.61 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.61 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.61 |
| ▸ | GSK3B | P49841 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL20524445 | 0.84 | HDAC3 (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL725464 | 0.81 | GSK3B (0.62) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9193922 | 0.81 | MAPT (0.62) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL20524442 | 0.81 | HDAC3 (0.53) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL5954694 | 0.80 | EGFR (0.62) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL727468 | 0.80 | GSK3B (0.61) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL153386 | 0.79 | ALDH1A1 (0.76) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16552644 | 0.79 | MMP1 (0.76) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8122937 | 0.79 | HDAC3 (0.52) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11023097 | 0.79 | EGFR (0.65) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |
| WO-2010100520-A1 | A PROCESS FOR PREPARATION OF PHENETHYLAMINE DERIVATIVE | HIKAL LIMITED (IN) | 2010-09-10 | — | — | WO | disclosed |