Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGPAT2 | O15120 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 2/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5739888 | 0.90 | AGPAT2 (0.48) | AGPAT2DHODHAURKAPDPK1TGFBR1 | |
| SCHEMBL5740131 | 0.87 | AGPAT2 (0.54) | AGPAT2ABCG2AURKAPDPK1TGFBR1 | |
| SCHEMBL5743044 | 0.87 | AGPAT2 (0.50) | AGPAT2ABCG2AURKAPDPK1TGFBR1 | |
| SCHEMBL5740185 | 0.87 | AGPAT2 (0.53) | AGPAT2DHODHAURKAPDPK1TGFBR1 | |
| SCHEMBL5741701 | 0.86 | MCHR1 (0.48) | AGPAT2DHODHROCK2MCHR1 | |
| SCHEMBL5741847 | 0.85 | AGPAT2 (0.60) | AGPAT2ABCG2AURKAPDPK1TGFBR1 | |
| SCHEMBL5743139 | 0.85 | AGPAT2 (0.60) | AGPAT2ABCG2AURKAPDPK1TGFBR1 | |
| SCHEMBL5741912 | 0.84 | BACE1 (0.42) | AGPAT2DHODHAURKAPDPK1TGFBR1 | |
| SCHEMBL5740835 | 0.84 | AGPAT2 (0.45) | AGPAT2DHODHAURKAPDPK1TGFBR1 | |
| SCHEMBL5742330 | 0.83 | MCHR1 (0.51) | AGPAT2ABCG2AURKAPDPK1TGFBR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1339706-B1 | N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN | ASTRAZENECA AB (SE) | 2006-04-19 | — | — | EP | disclosed |