Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL507287 | 0.81 | ALDH1A1 (0.35) | ALDH1A1MAPKAPK2PKM | |
| SCHEMBL8427577 | 0.70 | ALDH1A1 (0.34) | ALDH1A1MAPKAPK2PKM | |
| SCHEMBL2838919 | 0.69 | ALDH1A1 (0.34) | ALDH1A1MAPKAPK2 | |
| SCHEMBL1987440 | 0.69 | — | — | |
| SCHEMBL17530037 | 0.67 | MAPKAPK2 (0.43) | ALDH1A1MAPKAPK2 | |
| SCHEMBL2949467 | 0.66 | ALDH1A1 (0.40) | ALDH1A1PKM | |
| SCHEMBL7804726 | 0.65 | — | — | |
| SCHEMBL4137927 | 0.65 | — | — | |
| SCHEMBL28842884 | 0.65 | — | — | |
| SCHEMBL8267529 | 0.65 | — | — |
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-1720836-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005082859-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2005-09-09 | — | — | WO | disclosed |