Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.73 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 7/20 | 0.36 |
| ▸ | CNR1 | P21554 | 5/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7130420 | 1.00 | CYP2C9 (0.73) | CYP2C9NR1I2MAPK1HSD17B10HTR3E | |
| SCHEMBL7077611 | 0.90 | CYP2C9 (0.59) | CYP2C9NR1I2MAPK1HSD17B10HTR3E | |
| SCHEMBL7075766 | 0.89 | CYP2C9 (0.73) | CYP2C9NR1I2MAPK1HSD17B10HTR3E | |
| SCHEMBL6231450 | 0.84 | CYP2C9 (1.00) | CYP2C9NR1I2MAPK1HSD17B10CNR2 | |
| SCHEMBL6738653 | 0.84 | CYP2C9 (1.00) | CYP2C9NR1I2MAPK1HSD17B10CNR2 | |
| SCHEMBL1522705 | 0.81 | CYP2C9 (0.56) | CYP2C9NR1I2MAPK1HSD17B10 | |
| SCHEMBL1522557 | 0.80 | MAPK1 (0.50) | CYP2C9NR1I2MAPK1HSD17B10 | |
| SCHEMBL1522570 | 0.80 | MAPK1 (0.48) | CYP2C9NR1I2MAPK1HSD17B10HTR3E | |
| SCHEMBL1522875 | 0.80 | MAPK1 (0.48) | CYP2C9NR1I2MAPK1HSD17B10HTR3E | |
| SCHEMBL1523042 | 0.79 | CYP2C9 (0.47) | CYP2C9NR1I2MAPK1HSD17B10HTR3E |
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-2003059356-A2 | NOVEL ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2003-07-24 | — | — | WO | disclosed |