Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | FRK | P42685 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | F11 | P03951 | 3/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | TEK | Q02763 | 2/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28495547 | 0.86 | F11 (0.40) | F11KLKB1 | |
| SCHEMBL28329357 | 0.85 | F11 (0.33) | MAP4K4EGFRFRKMAPK9CSNK1A1 | |
| SCHEMBL28329473 | 0.85 | RXRA (0.37) | MAP4K4EGFRFRKMAPK9CSNK1A1 | |
| SCHEMBL28329354 | 0.83 | FLT1 (0.37) | MAP4K4EGFRFRKMAPK9CSNK1A1 | |
| SCHEMBL16971339 | 0.83 | AR (0.33) | RXRAGRIN1GRIN2BGABRA2GABRB2 | |
| SCHEMBL16971978 | 0.82 | NR1I2 (0.34) | RXRAGRIN1GRIN2BGABRA2GABRB2 | |
| SCHEMBL26048225 | 0.80 | F11 (0.33) | GABRA2GABRB2NOTUMF11KLKB1 | |
| SCHEMBL16971541 | 0.71 | F11 (0.42) | F11KLKB1 | |
| SCHEMBL30622090 | 0.70 | F11 (0.40) | MAP4K4EGFRFRKMAPK9CSNK1A1 | |
| SCHEMBL16971719 | 0.70 | CFTR (0.33) | RXRAGRIN1GRIN2BF11KLKB1 |
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-105980384-B | Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2019-11-15 | — | — | CN | disclosed |
| CN-106132962-B | Macrocyclic compounds having an aromatic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2018-09-07 | — | — | CN | disclosed |