Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 16/20 | 0.65 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.60 |
| ▸ | CDK2 | P24941 | 3/20 | 0.60 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.60 |
| ▸ | AURKA | O14965 | 3/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL2922466 | 0.94 | AURKA (0.66) | NTRK1CCNA2CDK2CCNA1AURKA | |
| SCHEMBL2922384 | 0.90 | AURKA (0.64) | NTRK1CCNA2CDK2CCNA1AURKA | |
| SCHEMBL2917763 | 0.89 | CDK2 (0.62) | NTRK1CCNA2CDK2CCNA1AURKA | |
| SCHEMBL2913501 | 0.86 | CCNA2 (0.63) | NTRK1CCNA2CDK2CCNA1AURKA | |
| SCHEMBL2921500 | 0.86 | CDK2 (0.58) | NTRK1CCNA2CDK2CCNA1AURKA | |
| SCHEMBL2921854 | 0.85 | NTRK1 (0.58) | NTRK1CCNA2CDK2CCNA1AURKA | |
| SCHEMBL2918239 | 0.84 | NTRK1 (0.58) | NTRK1CCNA2CDK2CCNA1AURKA | |
| SCHEMBL2919842 | 0.83 | AURKA (0.56) | NTRK1CCNA2CDK2CCNA1AURKA | |
| SCHEMBL2919919 | 0.83 | CCNA2 (0.56) | NTRK1CCNA2CDK2CCNA1AURKA | |
| SCHEMBL2922881 | 0.83 | AURKA (0.56) | NTRK1CCNA2CDK2CCNA1AURKA |
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-115073471-B | Pyrazolo tetrahydropyrrole derivative, preparation method and application thereof in medicine | 沈阳药科大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-115073471-A | Pyrazolo tetrahydropyrrole derivative, preparation method and application thereof in medicine | 沈阳药科大学 | 2022-09-20 | — | — | CN | disclosed |