Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL5778165 | 0.81 | TYMP (0.34) | PTGS2 | |
| SCHEMBL436848 | 0.76 | NPC1 (0.39) | PTGS2NOTUMMAP3K14 | |
| SCHEMBL8074688 | 0.76 | ESR1 (0.31) | — | |
| SCHEMBL17514918 | 0.75 | RAPGEF4 (0.30) | — | |
| SCHEMBL5182645 | 0.74 | CYP1A2 (0.38) | — | |
| SCHEMBL17514827 | 0.73 | ABL1 (0.40) | PTGS2 | |
| SCHEMBL4650408 | 0.73 | MAOA (0.40) | MCL1 | |
| SCHEMBL9447754 | 0.71 | GRIA1 (0.37) | — | |
| SCHEMBL9306464 | 0.71 | PTGS2 (0.47) | PTGS2PTGS1NOTUMMAP3K14MCL1 | |
| SCHEMBL17514784 | 0.71 | — | — |
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-1603572-A4 | LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-06-25 | — | — | EP | disclosed |
| EP-1603572-A1 | LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004082687-A1 | LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |