Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.40 |
| ▸ | ABAT | P80404 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5606962 | 0.85 | ABCG2 (0.61) | ALDH1A1ABCG2 | |
| SCHEMBL5606965 | 0.85 | ABCG2 (0.61) | ALDH1A1ABCG2 | |
| SCHEMBL4217442 | 0.83 | MAPT (0.51) | ABCG2 | |
| SCHEMBL18704227 | 0.83 | ABCG2 (0.56) | ALDH1A1CYP2A6ABCG2 | |
| SCHEMBL9568614 | 0.83 | ABCG2 (0.56) | ALDH1A1CYP2A6ABCG2 | |
| SCHEMBL4217436 | 0.83 | MAPT (0.51) | ABCG2 | |
| SCHEMBL28732347 | 0.82 | ABCG2 (0.53) | ALDH1A1ABCG2 | |
| SCHEMBL1397476 | 0.82 | ABCG2 (0.53) | ALDH1A1ABCG2 | |
| SCHEMBL13539102 | 0.80 | HDAC3 (0.47) | — | |
| SCHEMBL6062518 | 0.79 | ABCG2 (0.55) | ALDH1A1ABCG2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0297621-B1 | Cyclic amino-thioacetal amides, a process for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA (IT) | 1994-09-21 | — | — | EP | disclosed |
| US-4988701-A | Cyclic amino-thioacetal amides, a process for the preparation thereof and pharmaceutical compositions | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1991-01-29 | — | — | US | disclosed |
| EP-0297621-A2 | Cyclic amino-thioacetal amides, a process for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1989-01-04 | — | — | EP | disclosed |