Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 2/20 | 0.33 |
| ▸ | ERN1 | O75460 | 2/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL30633576 | 0.80 | ENPP2 (0.39) | AKR1C3AKR1C2PTGS2WDR5ENPP2 | |
| SCHEMBL21469773 | 0.80 | ENPP2 (0.39) | AKR1C3AKR1C2PTGS2WDR5ENPP2 | |
| SCHEMBL2264873 | 0.76 | PTGS2 (0.38) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL16962807 | 0.76 | PTGS2 (0.38) | AKR1C3AKR1C2PTGS2WDR5 | |
| SCHEMBL2556288 | 0.76 | ERN1 (0.31) | PTGS2ERN1ENPP2 | |
| SCHEMBL646947 | 0.75 | ALDH1A1 (0.56) | ALDH1A1PTGS2ERN1APP | |
| SCHEMBL708554 | 0.75 | ALDH1A1 (0.56) | ALDH1A1PTGS2ERN1 | |
| SCHEMBL19060103 | 0.73 | LOX (0.41) | ALDH1A1 | |
| SCHEMBL2465936 | 0.72 | PTGS2 (0.35) | ALDH1A1PTGS2WDR5ENPP2 | |
| SCHEMBL30253215 | 0.72 | PTGS2 (0.35) | ALDH1A1PTGS2WDR5ENPP2 |
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-2011123937-A1 | KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME | UNIVERSITY HEALTH NETWORK (CA) | 2011-10-13 | — | — | WO | disclosed |