Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.42 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.37 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.37 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21561044 | 0.85 | MALT1 (0.57) | MALT1P2RX3MAP4K4AAK1ATR | |
| SCHEMBL9384100 | 0.85 | MALT1 (0.43) | MALT1P2RX3MAP4K4AAK1ATR | |
| SCHEMBL5747725 | 0.82 | MALT1 (0.46) | MALT1MAP4K4ATR | |
| SCHEMBL9378492 | 0.77 | P2RX3 (0.39) | P2RX3KCNQ4KCNQ5CYP17A1ATR | |
| SCHEMBL22941806 | 0.77 | KCNQ4 (0.45) | KCNQ4KCNQ5CYP17A1ATRBRD4 | |
| SCHEMBL7160706 | 0.77 | MALT1 (0.45) | MALT1EGFRKDR | |
| SCHEMBL31554483 | 0.77 | MALT1 (0.45) | MALT1EGFRKDR | |
| SCHEMBL9382249 | 0.76 | SCN9A (0.41) | MAP4K4CYP17A1KLKB1LCKBRD4 | |
| SCHEMBL27700692 | 0.75 | HPGDS (0.42) | MALT1MAP4K4ATRAURKBMAPKAPK2 | |
| SCHEMBL6676620 | 0.73 | SMN1; SMN2 (0.47) | KCNQ4KCNQ5CYP17A1AKT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0318225-B1 | 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents | ICI PLC (GB) | 1994-03-16 | — | — | EP | disclosed |
| US-5112837-A | Inhibitors of thymidylate synthetase enzyme | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-12 | — | — | US | disclosed |