Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 6/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 5/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 5/20 | 0.41 |
| ▸ | GABRP | O00591 | 4/20 | 0.41 |
| ▸ | GABRD | O14764 | 4/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.41 |
| ▸ | GABRE | P78334 | 4/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 4/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 4/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 4/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30615441 | 1.00 | DAO (0.44) | DAOGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL28487839 | 0.88 | DAO (0.45) | DAOGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL30615677 | 0.87 | DAO (0.44) | DAOGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL28495301 | 0.87 | DAO (0.44) | DAOGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL30615322 | 0.84 | ADORA3 (0.52) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28488324 | 0.84 | ADORA3 (0.52) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL30615566 | 0.80 | ADORA3 (0.43) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21463622 | 0.80 | ADORA3 (0.43) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21463607 | 0.80 | DAO (0.48) | DAOGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL30615555 | 0.80 | DAO (0.48) | DAOGABRA1GABRG2GABRB3GABRA5 |
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 |