Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29993495 | 0.77 | HTT (0.32) | CYP3A4TP53 | |
| SCHEMBL3094571 | 0.75 | HDAC8 (0.34) | — | |
| SCHEMBL10752466 | 0.72 | BCL2 (0.38) | — | |
| SCHEMBL19191095 | 0.71 | TACR1 (0.34) | — | |
| SCHEMBL13068448 | 0.70 | — | — | |
| SCHEMBL695579 | 0.69 | POLB (0.42) | CYP3A4 | |
| SCHEMBL8897662 | 0.69 | — | — | |
| SCHEMBL696060 | 0.67 | — | — | |
| SCHEMBL29457179 | 0.67 | — | — | |
| SCHEMBL15024769 | 0.67 | ALDH1A1 (0.38) | GAACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5084458-A | Bactericides, malaria and antitumor agents | SCHAPER KLAUS JUERGEN (DE) | 1992-01-28 | — | — | US | disclosed |
| US-4997835-A | Bactericides, malaria, antitumor | SCHAPER KLAUS JUERGEN (DE) | 1991-03-05 | — | — | US | disclosed |