Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 17/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3759250 | 0.95 | HTR6 (0.49) | HTR6ALDH1A1CYP3A4ADRA2ACYP2D6 | |
| SCHEMBL3746693 | 0.92 | HTR6 (0.58) | HTR6ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3754067 | 0.88 | HTR6 (0.51) | HTR6ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3754269 | 0.87 | HTR6 (0.49) | HTR6ALDH1A1CYP3A4CYP2D6HTR2A | |
| Trifluoroacetic Acid SCHEMBL3753593 | 0.78 | HTR6 (0.49) | HTR6ALDH1A1HTR2A | |
| Trifluoroacetic Acid SCHEMBL3761902 | 0.75 | HTR6 (0.40) | HTR6CYP3A4ADRA2ACYP2D6ADRA2C | |
| SCHEMBL3747271 | 0.73 | ALDH1A1 (0.46) | HTR6ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3752797 | 0.70 | AVPR1B (0.52) | HTR6HTR2A | |
| SCHEMBL3754250 | 0.70 | FABP4 (0.58) | HTR6ALDH1A1 | |
| SCHEMBL3749236 | 0.69 | HTR6 (1.00) | HTR6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1476151-B1 | 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | ORGANON NV (NL) | 2008-07-16 | — | — | EP | disclosed |