Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 12/20 | 0.43 |
| ▸ | DRD3 | P35462 | 8/20 | 0.41 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5204216 | 0.87 | GPR119 (0.43) | HTR6 | |
| SCHEMBL5202296 | 0.87 | HTR6 (0.53) | HTR6DRD3DRD2HRH3 | |
| SCHEMBL5204338 | 0.86 | HTR6 (0.55) | HTR6DRD3DRD2 | |
| Tert-Butyl Formate SCHEMBL27641072 | 0.77 | HTR6 (0.45) | HTR6DRD3DRD2 | |
| SCHEMBL6179536 | 0.68 | HTR6 (0.62) | HTR6DRD3DRD2HRH3AKR1C3 | |
| Trifluoroacetic Acid SCHEMBL26098704 | 0.67 | DRD2 (0.41) | HTR6DRD2SMN1; SMN2TSHRAKR1C3 | |
| SCHEMBL4239501 | 0.66 | AKR1C3 (0.48) | TSHRAKR1C3AKR1C1 | |
| SCHEMBL1134900 | 0.65 | DRD2 (0.47) | DRD2SMN1; SMN2TP53TSHR | |
| SCHEMBL6274917 | 0.65 | HTR6 (0.50) | HTR6DRD2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27237928 | 0.64 | HTR1A (0.49) | HTR6DRD3DRD2SMN1; SMN2TSHR |
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 |