Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.56 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | NLN | Q9BYT8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15259275 | 0.82 | CYP3A4 (0.58) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL30270561 | 0.82 | CYP3A4 (0.67) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL12343824 | 0.82 | CYP3A4 (0.58) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL27449710 | 0.82 | CYP3A4 (0.67) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL6957266 | 0.81 | CYP3A4 (0.69) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL13331622 | 0.81 | CYP3A4 (0.69) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL18162790 | 0.81 | CYP3A4 (0.69) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL8234259 | 0.81 | CYP3A4 (0.57) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL23484143 | 0.80 | CYP3A4 (0.56) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL31066572 | 0.80 | CYP3A4 (0.63) | CYP3A4SLC7A5HRH4HRH3MEN1 |
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-4250085-A | PHOSPHONATE-CONTAINING OLIGOPEPTIDES, BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 1981-02-10 | — | — | US | disclosed |