Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 18/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CPT2 | P23786 | 1/20 | 0.38 |
| ▸ | CPT1A | P50416 | 1/20 | 0.38 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3619410 | 0.94 | HTR6 (0.59) | HTR6CYP3A4CYP2D6ALDH1A1PKM | |
| Trifluoroacetic Acid SCHEMBL4021035 | 0.91 | HTR6 (0.42) | HTR6CYP3A4CYP2D6ALDH1A1PKM | |
| Trifluoroacetic Acid SCHEMBL4020859 | 0.90 | HTR6 (0.42) | HTR6CYP3A4CYP2D6ALDH1A1PKM | |
| Trifluoroacetic Acid SCHEMBL3618819 | 0.87 | HTR6 (0.50) | HTR6CYP3A4CYP2D6ALDH1A1PKM | |
| SCHEMBL3623733 | 0.87 | HTR6 (0.68) | HTR6CYP3A4CYP2D6ALDH1A1PKM | |
| Trifluoroacetic Acid SCHEMBL4024567 | 0.86 | HTR6 (0.71) | HTR6CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL4021360 | 0.86 | HTR6 (0.57) | HTR6CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL4022973 | 0.84 | HTR6 (0.67) | HTR6CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL4024854 | 0.81 | HTR6 (0.64) | HTR6CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL4021249 | 0.81 | HTR6 (0.61) | HTR6CYP3A4CYP2D6 |
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-2046741-A1 | INDOLES AS 5-HT6 MODULATORS | BIOVITRUM AB (publ) (SE) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008003703-A1 | INDOLES AS 5-HT6 MODULATORS | BIOVITRUM AB (PUBL) (SE) | 2008-01-10 | — | — | WO | disclosed |