Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.38 |
| ▸ | SCD | O00767 | 2/20 | 0.35 |
| ▸ | FADS1 | O60427 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6234886 | 0.82 | PTGS2 (0.38) | PTGS2SCDFADS1WNT3ATNKS2 | |
| SCHEMBL13605666 | 0.79 | PTGS2 (0.48) | PTGS2JAK2PTK2CNR1KDR | |
| SCHEMBL4178035 | 0.76 | PDE5A (0.48) | PTGS2KDR | |
| SCHEMBL4182630 | 0.74 | BRD4 (0.46) | PTGS2SCDFADS1WNT3ATNKS2 | |
| SCHEMBL6234875 | 0.69 | EED (0.38) | PTGS2SCDFADS1WNT3ATNKS2 | |
| SCHEMBL4176801 | 0.65 | EED (0.52) | PTGS2KDR | |
| SCHEMBL4181032 | 0.64 | KDR (0.58) | KDR | |
| SCHEMBL4174127 | 0.64 | KDR (0.74) | PTGS2SCDWNT3ATNKS2KDR | |
| SCHEMBL4180618 | 0.64 | PTGS2 (0.52) | PTGS2KDR | |
| SCHEMBL4179144 | 0.63 | PTGS2 (0.49) | PTGS2KDR |
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-2005004818-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2005-01-20 | — | — | WO | disclosed |