Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 5/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6736069 | 0.90 | CYP2C9 (0.82) | CYP2C9MAPK1HSD17B10NR1I2NPC1 | |
| SCHEMBL6684550 | 0.89 | CYP2C9 (0.82) | CYP2C9MAPK1HSD17B10NR1I2HIF1A | |
| SCHEMBL1522398 | 0.87 | CYP2C9 (0.59) | CYP2C9MAPK1HSD17B10NR1I2NPC1 | |
| SCHEMBL1522640 | 0.86 | CYP2C9 (0.61) | CYP2C9MAPK1HSD17B10NR1I2NPC1 | |
| SCHEMBL6685735 | 0.85 | MAPK1 (0.57) | CYP2C9MAPK1HSD17B10NR1I2NPC1 | |
| SCHEMBL1522203 | 0.85 | CYP2C9 (0.59) | CYP2C9MAPK1HSD17B10NR1I2NPC1 | |
| SCHEMBL1522252 | 0.85 | CYP2C9 (0.63) | CYP2C9MAPK1HSD17B10NR1I2KDM4E | |
| SCHEMBL6681450 | 0.85 | CYP2C9 (0.66) | CYP2C9MAPK1HSD17B10NR1I2KDM4E | |
| SCHEMBL1522450 | 0.84 | CYP2C9 (0.59) | CYP2C9MAPK1HSD17B10NR1I2NPC1 | |
| SCHEMBL6239158 | 0.84 | CYP2C9 (0.63) | CYP2C9MAPK1HSD17B10NR1I2NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004052312-A2 | ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2004-06-24 | — | — | WO | claimed |