Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.45 |
| ▸ | TNKS | O95271 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 3/20 | 0.41 |
| ▸ | GABRD | O14764 | 3/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21463600 | 0.84 | HSP90AA1 (0.40) | AURKATNKSHSP90AA1HSP90AB1GABRP | |
| SCHEMBL21463404 | 0.84 | TNKS (0.46) | TNKSHSP90AA1POLBNPC1GAA | |
| SCHEMBL30615403 | 0.84 | TNKS (0.46) | TNKSHSP90AA1POLBNPC1GAA | |
| SCHEMBL28494945 | 0.82 | HSP90AA1 (0.49) | AURKATNKSHSP90AA1POLBHSP90AB1 | |
| SCHEMBL21464133 | 0.82 | AURKA (0.49) | AURKATNKSHSP90AA1POLBGABRP | |
| SCHEMBL30615658 | 0.82 | AURKA (0.49) | AURKATNKSHSP90AA1POLBGABRP | |
| SCHEMBL30615573 | 0.82 | DAO (0.47) | TNKSHSP90AA1HSP90AB1GABRPGABRD | |
| SCHEMBL28490416 | 0.82 | DAO (0.47) | TNKSHSP90AA1HSP90AB1GABRPGABRD | |
| SCHEMBL21464277 | 0.80 | AURKA (0.49) | AURKATNKSHSP90AA1POLBGABRP | |
| SCHEMBL30615368 | 0.80 | AURKA (0.49) | AURKATNKSHSP90AA1POLBGABRP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111868037-B | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2023-10-13 | — | — | CN | disclosed |
| 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 |