Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 9/20 | 0.62 |
| ▸ | DRD3 | P35462 | 7/20 | 0.62 |
| ▸ | DRD2 | P14416 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 8/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5200724 | 0.87 | HTR6 (0.81) | HTR6DRD3DRD2MEN1KMT2A | |
| SCHEMBL5204205 | 0.86 | HTR6 (0.57) | HTR6DRD3DRD2MEN1KMT2A | |
| SCHEMBL5204332 | 0.83 | HTR6 (0.82) | HTR6DRD3DRD2MEN1KMT2A | |
| SCHEMBL27641069 | 0.82 | HTR6 (0.57) | HTR6DRD3DRD2MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5205906 | 0.81 | HTR6 (0.69) | HTR6DRD3DRD2MEN1KMT2A | |
| SCHEMBL6744239 | 0.76 | ALDH1A1 (0.71) | KMT2ALMNAGAA | |
| SCHEMBL27237928 | 0.74 | HTR1A (0.49) | HTR6DRD3DRD2MEN1KMT2A | |
| Tert-Butyl Formate SCHEMBL27641071 | 0.74 | HTR6 (0.66) | HTR6DRD3DRD2MEN1KMT2A | |
| SCHEMBL14626403 | 0.74 | HTR6 (0.82) | HTR6DRD3DRD2MEN1KMT2A | |
| SCHEMBL5200670 | 0.74 | HTR6 (0.66) | HTR6DRD3DRD2MEN1KMT2A |
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-1601358-A1 | 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-07 | — | — | EP | disclosed |
| WO-2004078176-A1 | 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-16 | — | — | WO | disclosed |