Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7278958 | 0.80 | EPHX1 (0.50) | CES2CES1EPHX1IDO1TDO2 | |
| SCHEMBL9558442 | 0.80 | CES2 (0.45) | CES2CES1MDM2CA12CA1 | |
| SCHEMBL10441312 | 0.80 | CES2 (0.45) | CES2CES1TRPM8NR1I2MDM2 | |
| SCHEMBL5504134 | 0.78 | CES2 (0.44) | CES2CES1TRPM8NR1I2MDM2 | |
| SCHEMBL1395758 | 0.78 | HDAC3 (0.44) | CES2CES1EPHX1IDO1TDO2 | |
| SCHEMBL1115120 | 0.76 | CES2 (0.45) | CES2CES1TRPM8NR1I2MDM2 | |
| SCHEMBL15514916 | 0.76 | CES2 (0.61) | CES2CES1TRPM8NR1I2MDM2 | |
| SCHEMBL7680152 | 0.74 | CES2 (0.44) | CES2CES1TRPM8NR1I2MDM2 | |
| SCHEMBL28303367 | 0.74 | TPMT (0.38) | EPHX1PARP1 | |
| SCHEMBL7290856 | 0.74 | CES2 (0.47) | CES2CES1IDO1APP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |