Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.63 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31006546 | 1.00 | HSP90AB1 (0.63) | HSP90AB1ADORA2AGRM2CFTRALDH1A1 | |
| SCHEMBL31006553 | 0.91 | HSP90AB1 (0.65) | HSP90AB1ADORA2AGRM2ALDH1A1HSD17B10 | |
| SCHEMBL29283877 | 0.91 | HSP90AB1 (0.65) | HSP90AB1ADORA2AGRM2ALDH1A1HSD17B10 | |
| SCHEMBL29283820 | 0.89 | ADORA2A (0.55) | HSP90AB1ADORA2AGRM2CFTRALDH1A1 | |
| SCHEMBL31006552 | 0.89 | ADORA2A (0.55) | HSP90AB1ADORA2AGRM2CFTRALDH1A1 | |
| SCHEMBL29283806 | 0.87 | HSP90AB1 (0.76) | HSP90AB1GRM2HDAC6ROCK2ROCK1 | |
| SCHEMBL31006527 | 0.87 | HSP90AB1 (0.76) | HSP90AB1GRM2HDAC6ROCK2ROCK1 | |
| SCHEMBL31006508 | 0.83 | HSP90AB1 (0.67) | HSP90AB1GRM2ALDH1A1TP53ALDH1A3 | |
| SCHEMBL31006547 | 0.83 | HSP90AB1 (0.67) | HSP90AB1GRM2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29283813 | 0.83 | HSP90AB1 (0.67) | HSP90AB1GRM2CYP1A2CYP3A4CYP2D6 |
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-118184635-A | Quinolinone compound, pharmaceutical composition and application thereof | 安徽医科大学 | 2024-06-14 | — | — | CN | disclosed |