Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL440376 | 0.97 | THRB (0.40) | THRBLMNAALDH1A1 | |
| SCHEMBL9547502 | 0.87 | ALDH1A1 (0.40) | THRBLMNAALDH1A1 | |
| SCHEMBL5016967 | 0.85 | ALDH1A1 (0.33) | THRBLMNAALDH1A1 | |
| SCHEMBL7004652 | 0.84 | — | — | |
| SCHEMBL9657930 | 0.82 | TSHR (0.41) | THRBLMNAALDH1A1 | |
| SCHEMBL1146478 | 0.81 | ALDH1A1 (0.36) | THRBLMNAALDH1A1 | |
| Ethylene Glycol SCHEMBL2195523 | 0.81 | THRB (0.36) | THRBLMNAALDH1A1 | |
| SCHEMBL5705793 | 0.79 | SMN1; SMN2 (0.39) | THRBLMNAALDH1A1 | |
| SCHEMBL5666168 | 0.78 | THRB (0.50) | THRBLMNA | |
| SCHEMBL16904107 | 0.77 | ALDH1A1 (0.40) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6174881-B1 | USED AS ANXIOLYTIC AND/OR ANTICONVULSANT AND/OR MUSCLE RELAXANT AGENTS; SEDATIVES OR HYPNOSIS; WATER-SOLUBLE AMINE SALTS; FAST-ACTING | HOFFMAN-LA ROCHE INC. | 2001-01-16 | — | — | US | disclosed |