Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.44 |
| ▸ | AURKA | O14965 | 3/20 | 0.42 |
| ▸ | GABRP | O00591 | 5/20 | 0.41 |
| ▸ | GABRD | O14764 | 5/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 5/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 5/20 | 0.41 |
| ▸ | GABRE | P78334 | 5/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 5/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 5/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 5/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 5/20 | 0.41 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL28488498 | 0.84 | DAO (0.45) | AURKAKCNMA1DAOKDM4EALDH1A1 | |
| SCHEMBL30615578 | 0.76 | AURKA (0.48) | HSP90AA1AURKAGABRPGABRDGABRA1 | |
| SCHEMBL21464045 | 0.76 | AURKA (0.48) | HSP90AA1AURKAGABRPGABRDGABRA1 | |
| SCHEMBL28494934 | 0.74 | AURKA (0.47) | HSP90AA1AURKAGABRPGABRDGABRA1 | |
| SCHEMBL30615704 | 0.72 | HSP90AA1 (0.50) | HSP90AA1AURKAGABRPGABRDGABRA1 | |
| SCHEMBL30615443 | 0.71 | GABRP (0.52) | HSP90AA1AURKAGABRPGABRDGABRA1 | |
| SCHEMBL5956462 | 0.71 | AURKA (0.51) | HSP90AA1AURKAGABRPGABRDGABRA1 | |
| SCHEMBL3788615 | 0.70 | AURKA (0.51) | HSP90AA1AURKAGABRPGABRDGABRA1 | |
| SCHEMBL21463594 | 0.70 | AURKA (0.48) | HSP90AA1AURKAGABRPGABRDGABRA1 | |
| SCHEMBL30615342 | 0.70 | AURKA (0.48) | HSP90AA1AURKAGABRPGABRDGABRA1 |
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-111868037-A | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2020-10-30 | — | — | CN | disclosed |