Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 11/20 | 0.66 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 3/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3076546 | 0.89 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3099258 | 0.89 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1NAMPT | |
| SCHEMBL12273502 | 0.88 | HSP90AA1 (0.72) | HSP90AA1HSP90AB1 | |
| SCHEMBL13960641 | 0.88 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1 | |
| SCHEMBL1768003 | 0.88 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1NAMPTTLR8 | |
| SCHEMBL16628727 | 0.87 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1 | |
| SCHEMBL27869741 | 0.87 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1NAMPT | |
| SCHEMBL13180105 | 0.86 | HSP90AA1 (0.73) | HSP90AA1HSP90AB1NAMPT | |
| SCHEMBL13144772 | 0.85 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3086636 | 0.85 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102648178-A | Quinazoline derivatives | MERCK PATENT GMBH | 2012-08-22 | — | — | CN | disclosed |