Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 12/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2219869 | 0.85 | AKR1C3 (0.57) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL2222865 | 0.85 | AKR1C3 (0.47) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL8796929 | 0.84 | MAOA (0.34) | AKR1C3PTGS2 | |
| SCHEMBL8797000 | 0.84 | AKR1C3 (0.45) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL15571317 | 0.84 | AKR1C3 (0.52) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL15572316 | 0.83 | AKR1C3 (0.58) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL2224238 | 0.79 | AKR1C3 (0.47) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL8430221 | 0.77 | AKR1C3 (0.45) | AKR1C3 | |
| SCHEMBL8521003 | 0.76 | PTGS2 (0.45) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL5138929 | 0.74 | AKR1C3 (0.43) | AKR1C3PTGS2AKR1C2AKR1C1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0723442-A4 | LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS | CELL PATHWAYS INC (US) | 1997-06-11 | — | — | EP | disclosed |
| EP-0723442-A1 | LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS | CELL PATHWAYS, INC. (US) | 1996-07-31 | — | — | EP | disclosed |
| WO-1996003987-A1 | LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS | CELL PATHWAYS, INC. (US) | 1996-02-15 | — | — | WO | disclosed |