Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL6692294 | 0.91 | CYP2C9 (0.80) | CYP2C9MAPK1HSD17B10NR1I2DPP4 | |
| SCHEMBL6239158 | 0.90 | CYP2C9 (0.63) | CYP2C9MAPK1HSD17B10NR1I2DPP4 | |
| SCHEMBL6684550 | 0.89 | CYP2C9 (0.82) | CYP2C9MAPK1HSD17B10NR1I2DPP4 | |
| SCHEMBL1522640 | 0.87 | CYP2C9 (0.61) | CYP2C9MAPK1HSD17B10NR1I2DPP4 | |
| SCHEMBL6686456 | 0.85 | HSD17B10 (0.61) | CYP2C9MAPK1HSD17B10NR1I2KDM4E | |
| SCHEMBL6692151 | 0.85 | CYP2C9 (0.67) | CYP2C9MAPK1HSD17B10NR1I2KDM4E | |
| SCHEMBL6231859 | 0.83 | CYP2C9 (0.69) | CYP2C9MAPK1HSD17B10NR1I2DPP4 | |
| SCHEMBL1380681 | 0.83 | CYP2C9 (0.55) | CYP2C9MAPK1HSD17B10NR1I2DPP4 | |
| SCHEMBL6235373 | 0.83 | HSD17B10 (0.74) | CYP2C9MAPK1HSD17B10NR1I2KDM4E | |
| SCHEMBL6235277 | 0.83 | MAPK1 (0.59) | CYP2C9MAPK1HSD17B10NR1I2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004052312-A2 | ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2004-06-24 | — | — | WO | claimed |
| WO-2004052312-A2 | ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2004-06-24 | — | — | WO | disclosed |