Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 5/20 | 0.69 |
| ▸ | ALDH2 | P05091 | 12/20 | 0.47 |
| ▸ | MAOA | P21397 | 7/20 | 0.47 |
| ▸ | MAOB | P27338 | 7/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8478334 | 1.00 | LSS (0.69) | LSSALDH2MAOAMAOBPDK1 | |
| SCHEMBL4314973 | 0.82 | LSS (1.00) | LSSALDH2MAOAMAOBGSK3B | |
| SCHEMBL4314974 | 0.82 | LSS (1.00) | LSSALDH2MAOAMAOBGSK3B | |
| SCHEMBL30583132 | 0.82 | LSS (1.00) | LSSALDH2MAOAMAOBGSK3B | |
| SCHEMBL8478393 | 0.79 | ALDH2 (0.67) | LSSALDH2MAOAMAOBPDK1 | |
| SCHEMBL8482529 | 0.77 | LSS (0.69) | LSS | |
| SCHEMBL8481488 | 0.76 | PIN1 (0.73) | LSSMAOAMAOBPDK1PDK2 | |
| SCHEMBL8483516 | 0.76 | LSS (0.69) | LSS | |
| SCHEMBL9068259 | 0.76 | LSS (0.69) | LSS | |
| SCHEMBL25270225 | 0.73 | ALDH2 (0.71) | ALDH2MAOAMAOBPDK1PDK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5856503-A | ANTICHOLESTEROL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1999-01-05 | — | — | US | disclosed |
| EP-0778271-A2 | Aminoalkyl-substituted benzo-heterocyclic compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-11 | — | — | EP | disclosed |