Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 4/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | FRK | P42685 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | F11 | P03951 | 10/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 9/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | FLT1 | P17948 | 2/20 | 0.30 |
| ▸ | KDR | P35968 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28239007 | 0.85 | MAP4K4 (0.34) | RXRAGRIN1GRIN2BMAP4K4EGFR | |
| SCHEMBL16972250 | 0.84 | RXRA (0.35) | RXRAGRIN1GRIN2BF2F11 | |
| SCHEMBL28495547 | 0.83 | F11 (0.40) | F2F11KLKB1CYP3A4 | |
| SCHEMBL28329357 | 0.83 | F11 (0.33) | RXRAGRIN1GRIN2BMAP4K4EGFR | |
| SCHEMBL16971393 | 0.82 | RXRA (0.36) | RXRAGRIN1GRIN2BF2F11 | |
| SCHEMBL28329354 | 0.80 | FLT1 (0.37) | MAP4K4EGFRFRKMAPK9CSNK1A1 | |
| SCHEMBL28107858 | 0.79 | RXRA (0.39) | RXRAGRIN1GRIN2B | |
| SCHEMBL28107857 | 0.75 | RXRA (0.39) | RXRAGRIN1GRIN2BF2F11 | |
| SCHEMBL16971339 | 0.69 | AR (0.33) | RXRAGRIN1GRIN2BF11KLKB1 | |
| SCHEMBL16971978 | 0.68 | NR1I2 (0.34) | RXRAGRIN1GRIN2BF2F11 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |