Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.50 |
| ▸ | SCN10A | Q9Y5Y9 | 3/20 | 0.45 |
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | NOS2 | P35228 | 2/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.43 |
| ▸ | CDK9 | P50750 | 3/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | CDC37 | Q16543 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19785375 | 0.78 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1SCN10AKDM1A | |
| SCHEMBL1823930 | 0.76 | DYRK1A (0.53) | NOS3NOS2NOS1DYRK1ANPC1 | |
| SCHEMBL1165314 | 0.74 | FYN (0.52) | NOS3NOS2NOS1DYRK1ACCR1 | |
| SCHEMBL263442 | 0.74 | SCN10A (0.58) | HSP90AA1HSP90AB1SCN10ANOS3NOS2 | |
| SCHEMBL4938505 | 0.74 | DYRK1A (0.54) | NOS3NOS2NOS1DYRK1AGSK3B | |
| SCHEMBL3723167 | 0.73 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1SCN10AKDM1ASCN1A | |
| SCHEMBL4017565 | 0.72 | NR1H2 (0.47) | HSP90AA1HSP90AB1CCNT1CDK9KDM1A | |
| SCHEMBL13505855 | 0.72 | LIMK1 (0.45) | HSP90AA1HSP90AB1NOS3NOS2NOS1 | |
| SCHEMBL21187454 | 0.72 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1SCN10ANOS3NOS2 | |
| SCHEMBL15751000 | 0.71 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1SCN10AKDM1ANPC1 |
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 |