Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.43 |
| ▸ | RXRA | P19793 | 13/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 13/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 13/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | F11 | P03951 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL16974686 | 0.92 | NOTUM (0.41) | NOTUMRXRAGRIN1GRIN2BBRD4 | |
| SCHEMBL16971357 | 0.91 | F11 (0.37) | NOTUMRXRAGRIN1GRIN2BF11 | |
| SCHEMBL18710656 | 0.87 | RXRA (0.33) | NOTUMRXRAGRIN1GRIN2BF11 | |
| SCHEMBL16972064 | 0.87 | NOTUM (0.45) | NOTUMRXRAGRIN1GRIN2BF11 | |
| SCHEMBL16974539 | 0.86 | RXRA (0.35) | NOTUMRXRAGRIN1GRIN2BKCNH2 | |
| SCHEMBL30271797 | 0.86 | RXRA (0.33) | NOTUMRXRAGRIN1GRIN2BF11 | |
| SCHEMBL16971962 | 0.86 | RXRA (0.33) | NOTUMRXRAGRIN1GRIN2BF11 | |
| SCHEMBL16971771 | 0.86 | F11 (0.38) | NOTUMRXRAGRIN1GRIN2BF11 | |
| SCHEMBL16971741 | 0.86 | NOTUM (0.35) | NOTUMRXRAGRIN1GRIN2BF11 | |
| SCHEMBL16971893 | 0.85 | NOTUM (0.40) | NOTUMRXRAGRIN1GRIN2BF11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3099686-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-12-07 | — | — | EP | disclosed |
| WO-2015116885-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-06 | — | — | WO | disclosed |