Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 8/20 | 0.57 |
| ▸ | DRD3 | P35462 | 7/20 | 0.57 |
| ▸ | DRD2 | P14416 | 5/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 8/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5204205 | 0.86 | HTR6 (0.57) | HTR6DRD3DRD2AKR1C3MEN1 | |
| SCHEMBL5200724 | 0.83 | HTR6 (0.81) | HTR6DRD3DRD2AKR1C3MEN1 | |
| SCHEMBL6179536 | 0.82 | HTR6 (0.62) | HTR6DRD3DRD2AKR1C3MEN1 | |
| SCHEMBL5204332 | 0.77 | HTR6 (0.82) | HTR6DRD3DRD2AKR1C3MEN1 | |
| Trifluoroacetic Acid SCHEMBL5205906 | 0.77 | HTR6 (0.69) | HTR6DRD3DRD2AKR1C3MEN1 | |
| Tert-Butyl Formate SCHEMBL27641071 | 0.77 | HTR6 (0.66) | HTR6DRD3DRD2AKR1C3MEN1 | |
| SCHEMBL27548963 | 0.75 | HTR6 (0.67) | HTR6DRD3DRD2 | |
| SCHEMBL27707626 | 0.73 | CD44 (0.39) | HTR6MEN1KMT2A | |
| SCHEMBL27568637 | 0.73 | HTR6 (0.47) | HTR6DRD2MEN1KMT2A | |
| SCHEMBL5200784 | 0.70 | HTR6 (0.62) | HTR6DRD3DRD2LMNASMN1; SMN2 |
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-100395237-C | 2,5- and 2,6-substituted tetrahydroisoquinolines for use as 5-HT6 modulators | ROCHE PALO ALTO LLC (CH) | 2008-06-18 | — | — | CN | disclosed |
| CN-1756550-A | 2,5- and 2,6-substituted tetrahydroisoquinolines for use as 5-HT6 modulators | ROCHE PALO ALTO LLC (CH) | 2006-04-05 | — | — | CN | disclosed |