Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.74 |
| ▸ | HTR2C | P28335 | 6/20 | 0.74 |
| ▸ | HTR7 | P34969 | 3/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | DRD2 | P14416 | 1/20 | 0.67 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.58 |
| ▸ | EGFR | P00533 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.54 |
| ▸ | RAD52 | P43351 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9940058 | 0.87 | HTR7 (0.64) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL6407817 | 0.83 | HTR7 (0.61) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL274149 | 0.83 | HTR7 (1.00) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL7489600 | 0.83 | HTR7 (0.68) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL7489301 | 0.83 | HTR7 (0.68) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL5790730 | 0.82 | HTR7 (0.65) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL5740140 | 0.82 | HTR7 (0.65) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL7492089 | 0.82 | HTR7 (0.65) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL7491493 | 0.82 | HTR7 (0.64) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL23875899 | 0.81 | HTR7 (0.78) | HTR2AHTR2CHTR7CYP3A4CYP2D6 |
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-115850269-A | Tetrahydro-beta-carboline compound and preparation method and application thereof | 南京工业大学 | 2023-03-28 | — | — | CN | disclosed |