Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 10/20 | 0.52 |
| ▸ | CCND1 | P24385 | 10/20 | 0.52 |
| ▸ | GPX4 | P36969 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30561951 | 0.90 | CDK4 (0.51) | CDK4CCND1GPX4HDAC6TRPV1 | |
| SCHEMBL30561940 | 0.88 | CDK4 (0.51) | CDK4CCND1GPX4HDAC6TRPV1 | |
| SCHEMBL30561941 | 0.84 | CDK4 (0.48) | CDK4CCND1GPX4HDAC6TRPV1 | |
| SCHEMBL30561929 | 0.82 | CDK4 (0.48) | CDK4CCND1GPX4HDAC6TRPV1 | |
| SCHEMBL30561968 | 0.79 | CDK4 (0.45) | CDK4CCND1GPX4HDAC6TRPV1 | |
| SCHEMBL30561935 | 0.79 | GPX4 (0.67) | CDK4CCND1GPX4HDAC6TRPV1 | |
| SCHEMBL30562002 | 0.76 | CDK4 (0.61) | CDK4CCND1TRPV1 | |
| SCHEMBL8665194 | 0.74 | L3MBTL1 (0.48) | HRH4 | |
| SCHEMBL30562026 | 0.70 | GPX4 (0.65) | CDK4CCND1GPX4HDAC6TRPV1 | |
| SCHEMBL13942347 | 0.69 | CDK4 (0.83) | CDK4CCND1GPX4TRPV1 |
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-116836160-A | Fluoro-phenylacetyl tetrahydro-beta-carboline micromolecule organic compound for targeting tumor dryness and medical application thereof | 华东师范大学 | 2023-10-03 | — | — | CN | claimed |
| CN-116836160-A | Fluoro-phenylacetyl tetrahydro-beta-carboline micromolecule organic compound for targeting tumor dryness and medical application thereof | 华东师范大学 | 2023-10-03 | — | — | CN | disclosed |