Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 17/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8790971 | 0.84 | GAA (0.40) | SMYD3MEN1KMT2A | |
| SCHEMBL8791961 | 0.83 | CYP2D6 (0.41) | SMYD3CYP2D6KCNH2HRH3MEN1 | |
| SCHEMBL3270029 | 0.79 | SMN1; SMN2 (0.39) | CYP2D6KCNH2HRH3ALDH1A1 | |
| SCHEMBL8790345 | 0.76 | SMN1; SMN2 (0.47) | SMYD3KCNH2 | |
| SCHEMBL18285469 | 0.75 | EPHX1 (0.52) | ALDH1A1KMT2A | |
| SCHEMBL20054644 | 0.74 | DGAT1 (0.39) | ALDH1A1 | |
| SCHEMBL15045201 | 0.74 | DPP4 (0.49) | SMYD3HRH3MEN1ALDH1A1KMT2A | |
| SCHEMBL18285460 | 0.74 | ATM (0.34) | CYP2D6KCNH2HRH3 | |
| SCHEMBL20565156 | 0.73 | SMN1; SMN2 (0.37) | CYP2D6KCNH2HRH3ALDH1A1 | |
| SCHEMBL11708952 | 0.72 | EPHX1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0800516-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | NIPPON STEEL CORPORATION (JP) | 1997-10-15 | — | — | EP | disclosed |