Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | C1S | P09871 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | CTSA | P10619 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | PGK1 | P00558 | 1/20 | 0.36 |
| ▸ | PGK2 | P07205 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7458067 | 0.83 | ALDH1A1 (0.44) | PARP1IDO1TDO2ALDH1A1GAA | |
| SCHEMBL28146942 | 0.83 | PARP1 (0.41) | PARP1IDO1TDO2ALDH1A1SMN1; SMN2 | |
| SCHEMBL29389075 | 0.82 | PARP1 (0.53) | PARP1IDO1TDO2C1SALDH1A1 | |
| SCHEMBL3649122 | 0.79 | PARP1 (0.50) | PARP1IDO1TDO2C1SALDH1A1 | |
| SCHEMBL7283486 | 0.79 | PARP1 (0.50) | PARP1ALDH1A1EPHX1 | |
| SCHEMBL11754647 | 0.79 | PARP1 (0.50) | PARP1C1SALDH1A1SMN1; SMN2GAA | |
| SCHEMBL7282644 | 0.78 | PARP1 (0.48) | PARP1SYKGAACYP1A2 | |
| SCHEMBL7278958 | 0.78 | EPHX1 (0.50) | PARP1IDO1TDO2EPHX1 | |
| SCHEMBL3926394 | 0.78 | PARP1 (0.48) | PARP1IDO1TDO2C1SALDH1A1 | |
| SCHEMBL11215799 | 0.78 | PARP1 (0.48) | PARP1IDO1TDO2C1SALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116763781-A | Triazole derivative and preparation method and application thereof | 华东师范大学 | 2023-09-19 | — | — | CN | disclosed |
| WO-2016000615-A1 | HETEROARYL COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-01-07 | — | — | 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 |