Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 14/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CPT2 | P23786 | 1/20 | 0.37 |
| ▸ | CPT1A | P50416 | 1/20 | 0.37 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
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 SCHEMBL4022041 | 0.90 | HTR6 (0.53) | HTR6CYP3A4CYP2D6ALDH1A1PKM | |
| Trifluoroacetic Acid SCHEMBL4021035 | 0.87 | HTR6 (0.42) | HTR6CYP3A4CYP2D6ALDH1A1PKM | |
| Trifluoroacetic Acid SCHEMBL3618819 | 0.86 | HTR6 (0.50) | HTR6CYP3A4CYP2D6ALDH1A1PKM | |
| Trifluoroacetic Acid SCHEMBL3619410 | 0.84 | HTR6 (0.59) | HTR6CYP3A4CYP2D6ALDH1A1PKM | |
| Trifluoroacetic Acid SCHEMBL3623491 | 0.80 | HTR6 (0.41) | HTR6ALDH1A1PKMCPT2CPT1A | |
| Trifluoroacetic Acid SCHEMBL3618419 | 0.80 | CPT2 (0.47) | HTR6ALDH1A1PKMCPT2CPT1A | |
| SCHEMBL3615066 | 0.78 | HTR6 (0.57) | HTR6CYP3A4CYP2D6ALDH1A1PKM | |
| SCHEMBL3620172 | 0.78 | RECQL (0.51) | HTR6ALDH1A1PKMCPT2CPT1A | |
| Trifluoroacetic Acid SCHEMBL4024567 | 0.76 | HTR6 (0.71) | HTR6CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL4025265 | 0.76 | HTR6 (0.59) | 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 |