Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NISCH | Q9Y2I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7301411 | 0.77 | TRPV1 (0.33) | CYP3A4 | |
| SCHEMBL7297848 | 0.77 | KCNE1 (0.35) | CYP3A4 | |
| SCHEMBL5213725 | 0.76 | ABCG2 (0.30) | — | |
| SCHEMBL7301456 | 0.73 | TRPV1 (0.34) | — | |
| SCHEMBL7294345 | 0.73 | — | — | |
| SCHEMBL7298874 | 0.73 | KCNE1 (0.39) | CYP2D6CYP2C19MEN1CYP3A4KMT2A | |
| SCHEMBL9585171 | 0.71 | AKR1B1 (0.39) | TSHRMEN1CYP3A4KMT2ACYP1A2 | |
| SCHEMBL9585033 | 0.68 | TDP1 (0.37) | TSHRCYP2C19CYP2C9CYP1A2PKM | |
| SCHEMBL7298119 | 0.68 | TDP1 (0.37) | TSHRCYP2C19CYP2C9CYP1A2PKM | |
| SCHEMBL7440977 | 0.66 | SIGMAR1 (0.45) | CYP2D6TSHRCYP2C19MEN1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5260444-A | Cardiovascular, hypotensive | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1993-11-09 | — | — | US | disclosed |
| US-5208245-A | Hypotensive agents | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1993-05-04 | — | — | US | disclosed |
| EP-0460418-A2 | Novel Dihydropyridine derivative | WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) | 1991-12-11 | — | — | EP | disclosed |