Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | VNN1 | O95497 | 4/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 3/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | NR2E1 | Q9Y466 | 2/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.38 |
| ▸ | RORA | P35398 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5233508 | 0.85 | CNR2 (0.53) | CYP1A2VNN1CNR2KDRBRAF | |
| SCHEMBL5239397 | 0.84 | CNR2 (0.50) | CYP1A2TACR1CNR2KDRBRAF | |
| SCHEMBL5235758 | 0.83 | AURKA (0.39) | CYP1A2VNN1AURKATACR1CNR2 | |
| SCHEMBL5235754 | 0.83 | AURKA (0.39) | CYP1A2VNN1AURKATACR1CNR2 | |
| SCHEMBL5231753 | 0.81 | CYP1A2 (0.53) | CYP1A2LOXL2CYP3A4 | |
| SCHEMBL5237313 | 0.79 | RAB9A (0.56) | CYP1A2LOXL2CYP3A4 | |
| SCHEMBL5239743 | 0.79 | VNN1 (0.44) | CYP1A2VNN1KDRRIPK1LOXL2 | |
| SCHEMBL5239658 | 0.76 | CYP1A2 (0.61) | CYP1A2LOXL2CYP3A4 | |
| SCHEMBL29987166 | 0.76 | CYP1A2 (0.61) | CYP1A2LOXL2CYP3A4 | |
| SCHEMBL5239559 | 0.73 | KAT6A (0.44) | CYP1A2KDRBRAFMAPK14TNNI3K |
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-1397364-B1 | NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | LILLY CO ELI (US) | 2007-07-25 | — | — | EP | disclosed |