Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 5/20 | 0.36 |
| ▸ | PYGL | P06737 | 1/20 | 0.32 |
| ▸ | GBA2 | Q9HCG7 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | GLB1 | P16278 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.31 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.31 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 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 | |
|---|---|---|---|---|
| SCHEMBL2903630 | 1.00 | GBA1 (0.36) | GBA1PYGLGBA2GAAGLB1 | |
| SCHEMBL27326201 | 1.00 | GBA1 (0.36) | GBA1PYGLGBA2GAAGLB1 | |
| Hydrochloric Acid SCHEMBL2905226 | 0.98 | GBA1 (0.35) | GBA1PYGLGBA2GAAGLB1 | |
| SCHEMBL26729416 | 0.84 | GBA1 (0.36) | GBA1PYGLGBA2GAAGLB1 | |
| SCHEMBL2904780 | 0.84 | GBA1 (0.36) | GBA1PYGLGBA2GAAGLB1 | |
| Tert-Butyl Formate SCHEMBL28026809 | 0.83 | TDP1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL2923844 | 0.82 | GBA1 (0.35) | GBA1PYGLGBA2GAAGLB1 | |
| Hydrochloric Acid SCHEMBL2923841 | 0.82 | GBA1 (0.35) | GBA1PYGLGBA2GAAGLB1 | |
| Hydrochloric Acid SCHEMBL2923847 | 0.82 | GBA1 (0.35) | GBA1PYGLGBA2GAAGLB1 | |
| SCHEMBL3182445 | 0.81 | — | — |
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-2010506-B1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2010-08-04 | — | — | EP | disclosed |