Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 2/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 8/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 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 | |
|---|---|---|---|---|
| SCHEMBL18690072 | 1.00 | F11 (0.38) | F11AAK1MAPTMAP4K4HDAC3 | |
| SCHEMBL18797050 | 0.87 | F11 (0.34) | F11AAK1MAP4K4GRM4SREBF2 | |
| SCHEMBL28592176 | 0.84 | F11 (0.38) | F11AAK1MAP4K4HDAC3HDAC1 | |
| SCHEMBL616049 | 0.84 | F11 (0.38) | F11AAK1MAP4K4HDAC3HDAC1 | |
| SCHEMBL18797058 | 0.82 | CYP2C19 (0.38) | F11AAK1GRM4MAPKAPK2 | |
| SCHEMBL616860 | 0.79 | LMNA (0.42) | MAPTLMNAGAAXBP1MAPK1 | |
| SCHEMBL22282516 | 0.79 | LMNA (0.42) | MAPTLMNAGAAXBP1MAPK1 | |
| SCHEMBL614293 | 0.78 | F11 (0.36) | F11AAK1MAPTHDAC3HDAC1 | |
| SCHEMBL15594121 | 0.78 | AAK1 (0.34) | F11AAK1MAPTMAP4K4HDAC3 | |
| SCHEMBL30480743 | 0.78 | F11 (0.36) | F11AAK1MAPTHDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3099686-B1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-03-11 | — | — | EP | disclosed |