Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 8/20 | 0.49 |
| ▸ | CCND1 | P24385 | 8/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.49 |
| ▸ | GPX4 | P36969 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28918971 | 0.74 | KMT2A (0.54) | CDK4CCND1TRPV1GPX4GAA | |
| SCHEMBL4314830 | 0.70 | GPX4 (0.73) | CDK4CCND1TRPV1GPX4HDAC6 | |
| SCHEMBL13942726 | 0.69 | CDK4 (0.93) | CDK4CCND1TRPV1GPX4 | |
| SCHEMBL30562026 | 0.69 | GPX4 (0.65) | CDK4CCND1TRPV1GPX4HDAC6 | |
| SCHEMBL20882095 | 0.68 | GPX4 (0.77) | CDK4CCND1TRPV1GPX4HDAC6 | |
| SCHEMBL5556447 | 0.68 | GPX4 (0.77) | CDK4CCND1TRPV1GPX4HDAC6 | |
| SCHEMBL20018759 | 0.68 | GPX4 (1.00) | CDK4CCND1TRPV1GPX4HDAC6 | |
| SCHEMBL8320157 | 0.68 | HDAC6 (0.74) | CDK4CCND1TRPV1GPX4HDAC6 | |
| SCHEMBL999838 | 0.67 | TRPV1 (1.00) | CDK4CCND1TRPV1MAPT | |
| SCHEMBL30561935 | 0.67 | GPX4 (0.67) | CDK4CCND1TRPV1GPX4HDAC6 |
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-115521306-B | 1,2,3, 4-tetrahydro-beta-carboline derivative and preparation method and application thereof | 贵州大学 | 2024-03-26 | — | — | CN | disclosed |