Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 18/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 17/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16891571 | 0.82 | CYP2C19 (0.46) | CYP2D6CYP1A2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL13564332 | 0.73 | CASP6 (0.48) | CYP2D6CYP1A2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL15829876 | 0.73 | CYP1A2 (0.49) | CYP2D6CYP1A2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL16885719 | 0.69 | CYP2C19 (0.42) | CYP2D6CYP1A2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL26855947 | 0.69 | CYP2E1 (0.42) | CYP2C19ALOX15LMNATSHRCYP2C9 | |
| SCHEMBL16804896 | 0.68 | CYP2C9 (0.55) | ALDH1A1CYP2C19TDP1LMNATSHR | |
| SCHEMBL20102297 | 0.68 | CYP2E1 (0.45) | ALDH1A1CYP2C19TDP1LMNAHPGD | |
| SCHEMBL22055909 | 0.68 | CYP2C19 (0.42) | CYP2D6CYP1A2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL18378721 | 0.67 | CYP2C19 (0.44) | CYP2D6CYP1A2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL3464186 | 0.66 | DPP4 (0.54) | CYP2D6CYP1A2ALDH1A1HSD17B10CYP3A4 |
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-2022081758-A1 | BICYCLIC COMPOUNDS | ALIGOS THERAPEUTICS, INC. (US) | 2022-04-21 | — | — | WO | disclosed |