Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3700078 | 0.88 | ALDH1A1 (0.36) | TP53ALDH1A1TSHR | |
| SCHEMBL2510899 | 0.88 | ALDH1A1 (0.36) | TP53ALDH1A1TSHR | |
| SCHEMBL11332002 | 0.82 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL3090255 | 0.77 | — | — | |
| SCHEMBL5608521 | 0.77 | CHRM1 (0.37) | TSHR | |
| SCHEMBL5566732 | 0.77 | CHRM1 (0.37) | TSHR | |
| SCHEMBL11425472 | 0.75 | ALDH1A1 (0.33) | TP53ALDH1A1TSHR | |
| SCHEMBL22202025 | 0.75 | ALDH1A1 (0.33) | TP53ALDH1A1TSHR | |
| SCHEMBL2303259 | 0.75 | ALDH1A1 (0.33) | TP53ALDH1A1TSHR | |
| SCHEMBL14012117 | 0.75 | ALDH1A1 (0.33) | TP53ALDH1A1TSHR |
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-4442103-A | ANTIDEPRESSANTS | MERCK & CO., INC. (US) | 1984-04-10 | — | — | US | disclosed |