Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL12308890 | 0.77 | CYP1A2 (0.34) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| SCHEMBL9795332 | 0.76 | — | — | |
| SCHEMBL302003 | 0.74 | TSHR (0.39) | ALDH1A1 | |
| SCHEMBL9501604 | 0.74 | ALDH1A1 (0.41) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| SCHEMBL14685701 | 0.74 | RECQL (0.40) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| SCHEMBL12335919 | 0.74 | HPGD (0.48) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| SCHEMBL9795545 | 0.73 | SMYD3 (0.33) | — | |
| SCHEMBL16805856 | 0.72 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL1687263 | 0.71 | — | — | |
| SCHEMBL16805865 | 0.71 | ALDH1A1 (0.47) | CYP3A4MAPK1ALDH1A1 |
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-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |