Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | SCARB1 | Q8WTV0 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | ACACB | O00763 | 3/20 | 0.34 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL25237637 | 0.81 | IRAK4 (0.39) | HDAC1GHSRPRKCQIRAK4PIM1 | |
| SCHEMBL25283215 | 0.81 | IRAK4 (0.39) | HDAC1GHSRPRKCQIRAK4PIM1 | |
| SCHEMBL25278655 | 0.79 | HDAC1 (0.35) | HDAC1GHSRPRKCQIRAK4PIM1 | |
| SCHEMBL25243476 | 0.79 | CYP1A2 (0.33) | HDAC1GHSRHCRTR1HCRTR2SCARB1 | |
| SCHEMBL25240746 | 0.77 | GHSR (0.37) | HDAC1GHSRPRKCQPIM1 | |
| SCHEMBL25284225 | 0.77 | GHSR (0.37) | HDAC1GHSRPRKCQPIM1 | |
| SCHEMBL25237145 | 0.75 | PTPN11 (0.38) | HDAC1GHSRPRKCQIRAK4PIM1 | |
| SCHEMBL25237071 | 0.75 | PTPN11 (0.38) | HDAC1GHSRPRKCQIRAK4PIM1 | |
| Hydrochloric Acid SCHEMBL25283147 | 0.74 | PTPN11 (0.37) | HDAC1GHSRPRKCQIRAK4PIM1 | |
| SCHEMBL30541306 | 0.70 | IRAK4 (0.44) | IRAK4KDM4EALDH1A1HTTTSHR |
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 |