Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 15/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 SCHEMBL3761902 | 0.82 | HTR6 (0.40) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| Trifluoroacetic Acid SCHEMBL3752555 | 0.80 | HTR6 (0.45) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| SCHEMBL3744512 | 0.76 | HTR6 (0.36) | HTR6MAPT | |
| Trifluoroacetic Acid SCHEMBL3748726 | 0.73 | HTR6 (0.39) | HTR6CYP3A4CYP2D6MAPT | |
| Trifluoroacetic Acid SCHEMBL3759250 | 0.64 | HTR6 (0.49) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| Trifluoroacetic Acid SCHEMBL3749336 | 0.64 | HTR6 (0.39) | HTR6PKMMAPT | |
| SCHEMBL3750896 | 0.63 | HTR6 (0.49) | HTR6SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL3750563 | 0.63 | HTR6 (0.38) | HTR6MAPT | |
| SCHEMBL14572432 | 0.62 | PPARG (0.55) | HTR6 | |
| SCHEMBL5035284 | 0.62 | HTR6 (0.53) | HTR6CYP3A4CYP2D6ADRA2AADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| US-7838518-B2 | 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders | N.V. ORGANON (NL) | 2010-11-23 | — | — | US | disclosed |