Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.54 |
| ▸ | CDK4 | P11802 | 2/20 | 0.52 |
| ▸ | CCND1 | P24385 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.51 |
| ▸ | GPX4 | P36969 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7245981 | 0.78 | DRD3 (0.68) | KMT2ALMNACDK4CCND1MAPT | |
| SCHEMBL30945679 | 0.76 | ALDH1A1 (0.63) | KMT2ALMNAGAAMAPTMEN1 | |
| SCHEMBL28929350 | 0.75 | SIGMAR1 (0.60) | TRPV1PARP1GPX4SIGMAR1 | |
| SCHEMBL30861796 | 0.74 | CDK4 (0.49) | LMNATRPV1CDK4CCND1GAA | |
| SCHEMBL969099 | 0.74 | ALDH1A1 (0.69) | KMT2AGAAMAPTMEN1PARP1 | |
| SCHEMBL16335295 | 0.73 | SIGMAR1 (0.67) | PARP1SIGMAR1 | |
| SCHEMBL969021 | 0.73 | ALDH1A1 (0.62) | KMT2AGAAMAPTMEN1GPX4 | |
| SCHEMBL967323 | 0.73 | ALDH1A1 (0.71) | KMT2AGAAMAPTMEN1PARP1 | |
| SCHEMBL969403 | 0.72 | ALDH1A1 (0.64) | KMT2AGAAMAPTMEN1GPX4 | |
| SCHEMBL969372 | 0.72 | KDM4E (0.67) | GAAMAPTPARP1GPX4SIGMAR1 |
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-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 |
| CN-115521306-A | 1,2,3,4-tetrahydro-beta-carboline derivative and preparation method and application thereof | 贵州大学 | 2022-12-27 | — | — | CN | disclosed |