Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.47 |
| ▸ | CLK1 | P49759 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 6/20 | 0.45 |
| ▸ | PEPD | P12955 | 1/20 | 0.42 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2778375 | 0.85 | XDH (0.52) | DYRK1BCLK1DYRK1ADYRK2IDO1 | |
| SCHEMBL7397793 | 0.83 | ALDH1A1 (0.44) | ATRALDH1A1PTPN1PTPN2XDH | |
| SCHEMBL7396486 | 0.83 | ROCK2 (0.58) | ATRIDO1TDO2ALDH1A1NPC1 | |
| SCHEMBL7368321 | 0.82 | NPC1 (0.50) | ALDH1A1NPC1PTPN1GAAMAPT | |
| SCHEMBL7399753 | 0.82 | RAB9A (0.46) | ALDH1A1NPC1PTPN1GAAMAPT | |
| SCHEMBL7403582 | 0.82 | RAB9A (0.47) | NPC1MAPTKDR | |
| SCHEMBL7365549 | 0.82 | TSHR (0.45) | PTPN1PTPN2 | |
| SCHEMBL9669035 | 0.81 | PRKAB2 (0.35) | KIF11ATRPTPN1PTPN2XDH | |
| SCHEMBL7398136 | 0.81 | POLB (0.55) | ATRNPC1PTPN1PTPN2PTPN6 | |
| SCHEMBL7391714 | 0.81 | PTPN1 (0.67) | ATRIDO1TDO2ALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0096517-A2 | Aryl pyrazinones | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-12-21 | — | — | EP | claimed |
| US-4657906-A | CARDIOVASCULAR DISORDERS | SMITH KLINE & FRENCH LABORATORIES LTD. (GB) | 1987-04-14 | — | — | US | disclosed |
| US-4556711-A | CARDIOTONIC AGENTS | SMITH KLINE & FRENCH LABORATORIES LTD. (US) | 1985-12-03 | — | — | US | disclosed |
| EP-0096517-A2 | Aryl pyrazinones | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-12-21 | — | — | EP | disclosed |