Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.49 |
| ▸ | DGAT1 | O75907 | 7/20 | 0.42 |
| ▸ | TNKS | O95271 | 2/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 2/20 | 0.36 |
| ▸ | GABRD | O14764 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
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 | 0.87 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1TNKSAURKALMNA | |
| SCHEMBL28492431 | 0.82 | AURKA (0.45) | HSP90AA1HSP90AB1TNKSAURKALMNA | |
| SCHEMBL21463390 | 0.80 | TNKS (0.41) | TNKSAURKAALDH1A1LMNAHPGD | |
| SCHEMBL30615431 | 0.80 | TNKS (0.41) | TNKSAURKAALDH1A1LMNAHPGD | |
| SCHEMBL30615552 | 0.75 | MEN1 (0.47) | HSP90AA1TNKSAURKAKDM4EALDH1A1 | |
| SCHEMBL10143726 | 0.75 | MEN1 (0.47) | HSP90AA1TNKSAURKAKDM4EALDH1A1 | |
| SCHEMBL21464133 | 0.73 | AURKA (0.49) | HSP90AA1TNKSAURKAKDM4EALDH1A1 | |
| SCHEMBL30615658 | 0.73 | AURKA (0.49) | HSP90AA1TNKSAURKAKDM4EALDH1A1 | |
| SCHEMBL30615480 | 0.73 | GABRP (0.45) | HSP90AA1TNKSAURKAALDH1A1LMNA | |
| SCHEMBL30615427 | 0.72 | AURKA (0.47) | HSP90AA1TNKSAURKAKDM4EALDH1A1 |
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 |