Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9795166 | 0.91 | ALDH1A1 (0.34) | ALDH1A1CYP1A2CYP3A4RECQLMAPK1 | |
| SCHEMBL9499217 | 0.87 | ALDH1A1 (0.38) | ALDH1A1RECQLNPSR1 | |
| SCHEMBL9795502 | 0.84 | ALDH1A1 (0.40) | ALDH1A1CYP1A2 | |
| SCHEMBL9499257 | 0.81 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL9795314 | 0.81 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP3A4RECQL | |
| SCHEMBL9499920 | 0.79 | ALDH1A1 (0.41) | ALDH1A1NPSR1 | |
| SCHEMBL9501649 | 0.78 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL9497858 | 0.78 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL9795503 | 0.74 | CYP1A2 (0.36) | ALDH1A1CYP1A2CYP3A4RECQLMAPK1 | |
| Fumaric Acid SCHEMBL9795210 | 0.72 | ALDH1A1 (0.34) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0367019-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1993-05-12 | — | — | EP | claimed |
| US-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | claimed |