Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.49 |
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | ACLY | P53396 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.38 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.38 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.38 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | AXL | P30530 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17794669 | 0.86 | LRRK2 (0.48) | LRRK2BTKBRD4ALOX5APFEN1 | |
| SCHEMBL26505596 | 0.83 | GPR55 (0.46) | LRRK2IRAK1IRAK4BRD4ALOX5AP | |
| SCHEMBL17661854 | 0.83 | FGFR3 (0.48) | LRRK2IRAK1IRAK4BRD4ALOX5AP | |
| SCHEMBL11962892 | 0.80 | LRRK2 (0.54) | LRRK2BTKIRAK4BRD4ALOX5AP | |
| SCHEMBL10094326 | 0.79 | BRD4 (0.50) | BTKIRAK1IRAK4BRD4ALOX5AP | |
| SCHEMBL17795258 | 0.78 | LRRK2 (0.51) | LRRK2BTKBRD4ALOX5APFEN1 | |
| SCHEMBL17794671 | 0.78 | LRRK2 (0.51) | LRRK2BTKBRD4PIM1SMARCA2 | |
| SCHEMBL17809683 | 0.77 | LRRK2 (0.54) | LRRK2BTKBRD4PIM1ACLY | |
| Ammonia Solution, Strong SCHEMBL28956665 | 0.76 | LRRK2 (0.50) | LRRK2BTKBRD4ALOX5APFEN1 | |
| SCHEMBL17806620 | 0.75 | ALOX5AP (0.41) | LRRK2BTKIRAK1IRAK4BRD4 |
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-3328851-B1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES | BRISTOL MYERS SQUIBB CO (US) | 2020-04-22 | — | — | EP | disclosed |