Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.51 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.49 |
| ▸ | CCR1 | P32246 | 1/20 | 0.48 |
| ▸ | CCR8 | P51685 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | OXTR | P30559 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30146649 | 1.00 | CYP2A6 (0.51) | CYP2A6HSD17B1HSD17B2CCR1CCR8 | |
| SCHEMBL12269975 | 0.84 | CYP19A1 (0.50) | CYP2A6CCR1CCR8CYP19A1MAPT | |
| SCHEMBL18039066 | 0.82 | MKNK1 (0.49) | CYP2A6HSD17B1HSD17B2CYP19A1MKNK1 | |
| SCHEMBL13680477 | 0.81 | CYP2A6 (0.46) | CYP2A6CCR1CCR8TGFBR1CYP1A2 | |
| SCHEMBL3421947 | 0.80 | CYP2A6 (0.65) | CYP2A6CCR1CCR8TGFBR1MAPK14 | |
| SCHEMBL30146674 | 0.80 | CYP2A6 (0.65) | CYP2A6CCR1CCR8TGFBR1MAPK14 | |
| SCHEMBL23600958 | 0.80 | CYP19A1 (0.51) | CYP2A6HSD17B1HSD17B2CYP19A1MKNK1 | |
| SCHEMBL29311721 | 0.80 | PDE10A (0.49) | CYP2A6HSD17B1HSD17B2CYP19A1TGFBR1 | |
| SCHEMBL13273323 | 0.80 | SCN9A (0.47) | CYP2A6HSD17B1HSD17B2CYP19A1MKNK1 | |
| SCHEMBL2609404 | 0.80 | HSD17B1 (0.46) | CYP2A6HSD17B1HSD17B2CYP19A1MKNK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8785445-B2 | 7-phenoxychroman carboxylic acid derivatives | ARRAY BIOPHARMA INC. (US) | 2014-07-22 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |