Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26357827 | 0.77 | ALDH1A1 (0.40) | ALDH1A1TDP1 | |
| SCHEMBL12141348 | 0.75 | TDP1 (0.39) | ALDH1A1TDP1 | |
| SCHEMBL28299569 | 0.74 | ALDH1A1 (0.46) | ALDH1A1TDP1 | |
| SCHEMBL16349048 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TDP1 | |
| SCHEMBL14269784 | 0.73 | ALDH1A1 (0.52) | ALDH1A1TDP1 | |
| SCHEMBL138046 | 0.71 | ALDH1A1 (0.37) | ALDH1A1TDP1 | |
| SCHEMBL1913820 | 0.71 | CACNA2D1 (0.58) | ALDH1A1 | |
| SCHEMBL3112762 | 0.71 | CACNA2D1 (0.58) | ALDH1A1 | |
| SCHEMBL3112766 | 0.71 | CACNA2D1 (0.58) | ALDH1A1 | |
| SCHEMBL13993722 | 0.71 | ALDH1A1 (0.36) | ALDH1A1TDP1ALOX15 |
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-1192125-B9 | MONO-SUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS | WARNER LAMBERT CO (US) | 2009-09-16 | — | — | EP | disclosed |