Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7221117 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CYP2D6HTT | |
| SCHEMBL195524 | 0.91 | MAPT (0.33) | ALDH1A1CYP2D6HTT | |
| SCHEMBL14791308 | 0.87 | HTT (0.35) | ALDH1A1HTT | |
| SCHEMBL11649065 | 0.86 | CYP2D6 (0.32) | CYP2D6HTT | |
| SCHEMBL9678310 | 0.86 | CYP2D6 (0.32) | CYP2D6HTT | |
| SCHEMBL9234677 | 0.86 | CYP2D6 (0.32) | CYP2D6HTT | |
| SCHEMBL10535808 | 0.79 | CYP2D6 (0.39) | ALDH1A1CYP2D6 | |
| SCHEMBL13304669 | 0.79 | CYP1A2 (0.40) | ALDH1A1 | |
| SCHEMBL16546351 | 0.79 | CYP2D6 (0.39) | ALDH1A1CYP2D6 | |
| SCHEMBL11366405 | 0.77 | CYP1A2 (0.39) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000031020-A1 | IMPROVED GAMMA AMINO BUTYRIC ACID ANALOGS | WARNER-LAMBERT COMPANY (US) | 2000-06-02 | — | — | WO | disclosed |