Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.45 |
| ▸ | FLT1 | P17948 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 3/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28495324 | 0.83 | TNKS (0.48) | PARP1FGFR1FLT1HTR3AHRH4 | |
| SCHEMBL2166080 | 0.82 | HRH4 (0.56) | HTR3AHRH4HRH3 | |
| SCHEMBL28486773 | 0.76 | AURKA (0.49) | AURKALMNAMAPTCDK5CDK5R1 | |
| SCHEMBL28496771 | 0.76 | AURKA (0.46) | AURKALMNAMAPTCDK5CDK5R1 | |
| SCHEMBL5956467 | 0.72 | CDK5 (0.51) | AURKALMNAMAPTCDK5CDK5R1 | |
| SCHEMBL16456379 | 0.70 | AURKA (0.53) | AURKALMNAMAPTCDK5CDK5R1 | |
| SCHEMBL21464150 | 0.69 | HTR7 (0.47) | HTR7TNKSHRH3 | |
| SCHEMBL6846822 | 0.69 | HTR7 (0.65) | LMNAHTR7CYP1A2 | |
| SCHEMBL4161172 | 0.68 | GABRP (0.53) | AURKALMNAMAPTCDK5CDK5R1 | |
| SCHEMBL30423157 | 0.68 | GABRP (0.53) | AURKALMNAMAPTCDK5CDK5R1 |
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 |