Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.68 |
| ▸ | HTR2C | P28335 | 7/20 | 0.68 |
| ▸ | HTR7 | P34969 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | SSTR3 | P32745 | 7/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.49 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.49 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.49 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.49 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL20524868 | 0.90 | HTR7 (0.61) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL23116631 | 0.87 | HTR2A (0.62) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL30697780 | 0.79 | HTR7 (0.52) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL5613534 | 0.78 | HTR2A (0.46) | HTR2AHTR2CSSTR3KCNH2CACNA1F | |
| SCHEMBL4091350 | 0.77 | BRD3 (0.57) | HTR7CYP3A4CYP2D6CYP2C19SSTR3 | |
| SCHEMBL2269874 | 0.73 | GRIN2B (0.60) | HTR2AHTR2CHTR7CYP3A4CYP2D6 | |
| SCHEMBL17839824 | 0.72 | HTR7 (0.65) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 | |
| Tetrahydroharman SCHEMBL7018798 | 0.72 | HTR7 (0.65) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 | |
| Tetrahydroharman SCHEMBL21012020 | 0.72 | HTR7 (0.65) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 | |
| SCHEMBL968830 | 0.72 | HTR7 (0.65) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2178537-A1 | BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009011836-A1 | BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS | MERCK & CO., INC. (US) | 2009-01-22 | — | — | WO | disclosed |