Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.37 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25236224 | 1.00 | ACHE (0.43) | ACHEDDB1CRBNCHRNA7MAPT | |
| SCHEMBL25239206 | 0.82 | ACHE (0.61) | ACHEDDB1CRBNCHRNA7MAPT | |
| SCHEMBL25279825 | 0.82 | NR1H2 (0.40) | ACHEMAPTGPR119AOC3NR1H2 | |
| SCHEMBL30457207 | 0.75 | ACHE (0.41) | ACHEDDB1CRBNCHRNA7MAPT | |
| SCHEMBL31401082 | 0.74 | JAK3 (0.43) | ACHEDDB1CRBNCHRNA7MAPT | |
| SCHEMBL31713637 | 0.74 | GPR119 (0.45) | MAPTGPR119SLC6A7PTPN11NR1H2 | |
| SCHEMBL1990092 | 0.74 | NR1H2 (0.42) | MAPTGPR119PTPN11NR1H2NR1H3 | |
| SCHEMBL30419374 | 0.74 | NR1H2 (0.42) | MAPTGPR119PTPN11NR1H2NR1H3 | |
| SCHEMBL5726161 | 0.74 | MAPT (0.46) | DDB1CRBNMAPTGPR119NR1H2 | |
| SCHEMBL24700258 | 0.74 | NR1H2 (0.57) | MAPTGPR119NR1H2NR1H3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023110843-A1 | HETEROBICYCLIC DERIVATIVES AS ITK INHIBITORS | ALMIRALL, S.A. (ES) | 2023-06-22 | — | — | WO | disclosed |