Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL7868775 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CES2CES1 | |
| SCHEMBL7507889 | 0.69 | — | — | |
| SCHEMBL10758047 | 0.67 | — | — | |
| SCHEMBL6722292 | 0.67 | — | — | |
| SCHEMBL7737660 | 0.67 | — | — | |
| SCHEMBL513888 | 0.64 | — | — | |
| SCHEMBL10418582 | 0.62 | — | — | |
| SCHEMBL64658 | 0.61 | CES2 (0.42) | ALDH1A1CES2CES1 | |
| SCHEMBL28548514 | 0.60 | — | — | |
| SCHEMBL5310113 | 0.59 | — | — |
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-0832076-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |