Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.30 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL633576 | 0.83 | SMN1; SMN2 (0.37) | ALDH1A1TP53 | |
| Methyl Alcohol SCHEMBL9810522 | 0.81 | TP53 (0.44) | ALDH1A1TP53TSHR | |
| SCHEMBL41377 | 0.81 | TSHR (0.44) | ALDH1A1TP53TSHR | |
| Ammonia Solution, Strong SCHEMBL246433 | 0.78 | TSHR (0.41) | ALDH1A1TP53TSHR | |
| Ammonia Solution, Strong SCHEMBL2420015 | 0.78 | TSHR (0.41) | ALDH1A1TP53TSHR | |
| Ammonia Solution, Strong SCHEMBL339617 | 0.78 | TSHR (0.41) | ALDH1A1TP53TSHR | |
| Lactic Acid SCHEMBL27794556 | 0.76 | TP53 (0.65) | ALDH1A1TP53TSHR | |
| Acetic Acid Methyl Ester SCHEMBL665834 | 0.74 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL1486018 | 0.74 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL30680409 | 0.73 | ALDH1A1 (0.62) | ALDH1A1TP53TSHRSLC1A3SLC1A2 |
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-5643878-A | TREATMENT OF RETROVIRAL DISEASES LIKE AIDS | CIBA-GEIGY CORPORATION (US) | 1997-07-01 | — | — | US | disclosed |