Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.50 |
| ▸ | ACP3 | P15309 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4077713 | 0.85 | CES2 (0.54) | PNMTCES2EPHX1ACP3TSHR | |
| SCHEMBL1133391 | 0.85 | CES2 (0.54) | PNMTCES2EPHX1ACP3TSHR | |
| SCHEMBL6246702 | 0.84 | PNMT (0.57) | PNMTCES2EPHX1ACP3TSHR | |
| SCHEMBL2407521 | 0.83 | CES2 (0.53) | PNMTCES2EPHX1ACP3TSHR | |
| SCHEMBL29658610 | 0.81 | CES2 (0.67) | PNMTCES2EPHX1ACP3IDO1 | |
| SCHEMBL27996637 | 0.81 | PNMT (0.54) | PNMTCES2EPHX1ACP3IDO1 | |
| SCHEMBL8234510 | 0.81 | PNMT (0.54) | PNMTCES2EPHX1ACP3IDO1 | |
| SCHEMBL5527951 | 0.81 | CES2 (0.67) | PNMTCES2EPHX1ACP3IDO1 | |
| SCHEMBL7469419 | 0.80 | PNMT (0.53) | PNMTCES2EPHX1ACP3IDO1 | |
| SCHEMBL377074 | 0.80 | AURKA (0.57) | PNMTCES2EPHX1ACP3 |
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 |