Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9670798 | 0.83 | HDAC4 (0.51) | EPHX1HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL151880 | 0.83 | HDAC4 (0.51) | EPHX1HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL307849 | 0.82 | HDAC4 (0.55) | EPHX1HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL13172392 | 0.81 | HDAC4 (0.50) | EPHX1HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL7287698 | 0.80 | CES2 (0.44) | EPHX1HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL1398866 | 0.80 | HDAC4 (0.53) | EPHX1HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL1354525 | 0.79 | HDAC4 (0.51) | EPHX1HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL7283486 | 0.79 | PARP1 (0.50) | EPHX1PARP1 | |
| SCHEMBL2466962 | 0.79 | CES2 (0.64) | EPHX1HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL1354521 | 0.79 | HDAC4 (0.51) | EPHX1HDAC4HDAC7HDAC5CES2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014127256-A1 | KAPPA OPIOID RECEPTOR SELECTIVE COMPOUNDS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-08-21 | — | — | WO | disclosed |
| US-4567264-A | ADRENERGIC BLOCKING AGENTS | SYNTEX (U.S.A.) INC. (US) | 1986-01-28 | — | — | US | disclosed |
| US-4558129-A | Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade | SYNTEX (U.S.A.) INC. (US) | 1985-12-10 | — | — | US | disclosed |
| US-4499100-A | CARDIOUVASCULAR DISORDERS | SYNTEX (U.S.A.) INC. (US) | 1985-02-12 | — | — | US | disclosed |
| EP-0126449-A1 | Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry | SYNTEX (U.S.A.) INC. (US) | 1984-11-28 | — | — | EP | disclosed |