Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 4/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
| ▸ | F11 | P03951 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL16971962 | 1.00 | RXRA (0.33) | RXRAGRIN1GRIN2BP2RX7NOTUM | |
| SCHEMBL16971357 | 0.88 | F11 (0.37) | RXRAGRIN1GRIN2BNOTUMF11 | |
| SCHEMBL16974697 | 0.86 | NOTUM (0.43) | RXRAGRIN1GRIN2BNOTUMF11 | |
| SCHEMBL18710656 | 0.84 | RXRA (0.33) | RXRAGRIN1GRIN2BNOTUMF11 | |
| SCHEMBL16972064 | 0.84 | NOTUM (0.45) | RXRAGRIN1GRIN2BNOTUMF11 | |
| SCHEMBL16971771 | 0.84 | F11 (0.38) | RXRAGRIN1GRIN2BNOTUMF11 | |
| SCHEMBL16971741 | 0.84 | NOTUM (0.35) | RXRAGRIN1GRIN2BNOTUMF11 | |
| SCHEMBL16974539 | 0.84 | RXRA (0.35) | RXRAGRIN1GRIN2BP2RX7NOTUM | |
| SCHEMBL30271868 | 0.83 | NOTUM (0.47) | NOTUMF11 | |
| SCHEMBL16971608 | 0.83 | NOTUM (0.47) | NOTUMF11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116987080-A | Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors | 百时美施贵宝公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-110845498-B | Macrocyclic compounds having heterocyclic P2' groups as factor XIA inhibitors | 百时美施贵宝公司 | 2023-02-17 | — | — | CN | disclosed |