Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 3/20 | 0.43 |
| ▸ | GHSR | Q92847 | 1/20 | 0.37 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.35 |
| ▸ | BCL6 | P41182 | 3/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | KHK | P50053 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | SORD | Q00796 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL25240554 | 1.00 | PTPN11 (0.43) | PTPN11GHSREIF2AK4ROCK2ROCK1 | |
| SCHEMBL3533723 | 0.80 | PTPN11 (0.48) | PTPN11GHSREIF2AK4ROCK2ROCK1 | |
| SCHEMBL3533726 | 0.80 | PTPN11 (0.48) | PTPN11GHSREIF2AK4ROCK2ROCK1 | |
| SCHEMBL25238416 | 0.77 | CHRM2 (0.38) | SORD | |
| SCHEMBL25234344 | 0.75 | PTPN11 (0.38) | PTPN11GHSREIF2AK4HDAC1 | |
| SCHEMBL31421576 | 0.74 | ACHE (0.43) | ACHESORDPIK3CAMTOR | |
| SCHEMBL25236876 | 0.73 | EIF2AK4 (0.43) | EIF2AK4SORD | |
| SCHEMBL30457520 | 0.73 | EIF2AK4 (0.43) | EIF2AK4SORD | |
| SCHEMBL25280102 | 0.73 | CTSS (0.42) | PTPN11GHSRROCK2ROCK1 | |
| SCHEMBL29631769 | 0.73 | KDM4E (0.44) | PTPN11GHSRSCN9A |
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 |