Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 4/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.49 |
| ▸ | GABRP | O00591 | 5/20 | 0.47 |
| ▸ | GABRD | O14764 | 5/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.47 |
| ▸ | GABRB1 | P18505 | 5/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 5/20 | 0.47 |
| ▸ | GABRE | P78334 | 5/20 | 0.47 |
| ▸ | GABRA6 | Q16445 | 5/20 | 0.47 |
| ▸ | GABRG1 | Q8N1C3 | 5/20 | 0.47 |
| ▸ | GABRG3 | Q99928 | 5/20 | 0.47 |
| ▸ | GABRQ | Q9UN88 | 5/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31509793 | 0.87 | NPEPPS (0.57) | AURKANPEPPSCYP11B1CYP11B2 | |
| SCHEMBL30615353 | 0.85 | CDK5 (0.49) | AURKAHSP90AA1GABRPGABRDGABRA1 | |
| SCHEMBL31688017 | 0.78 | NPEPPS (0.39) | AURKAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL27192169 | 0.78 | NPEPPS (0.47) | AURKACDK5CDK5R1NPEPPSLMNA | |
| SCHEMBL31509768 | 0.78 | HTT (0.48) | NPEPPSCYP11B1CYP11B2 | |
| SCHEMBL30033533 | 0.77 | KDM4E (0.57) | AURKANPEPPSLMNA | |
| SCHEMBL30033042 | 0.77 | KDM4E (0.57) | AURKANPEPPSLMNA | |
| SCHEMBL30032168 | 0.77 | NPEPPS (0.49) | AURKACDK5CDK5R1NPEPPSLMNA | |
| SCHEMBL29328549 | 0.76 | FEN1 (0.53) | HSP90AA1NPEPPSLMNAMAPTCYP11B1 | |
| SCHEMBL27191850 | 0.76 | KDM4E (0.44) | HSP90AA1GABRPGABRDGABRA1GABRB1 |
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-B | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2023-10-13 | — | — | CN | disclosed |