Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8693732 | 0.78 | TDP1 (0.43) | CYP3A4 | |
| SCHEMBL7719268 | 0.77 | RIPK1 (0.38) | — | |
| SCHEMBL7447002 | 0.76 | — | — | |
| SCHEMBL7719269 | 0.74 | — | — | |
| SCHEMBL6329936 | 0.74 | ALDH1A1 (0.38) | CYP3A4 | |
| SCHEMBL10495491 | 0.73 | AKR1C3 (0.45) | — | |
| SCHEMBL11544763 | 0.71 | PTPN5 (0.49) | HRH3CYP3A4 | |
| SCHEMBL547582 | 0.69 | RAB9A (0.52) | HRH3CYP3A4 | |
| SCHEMBL196799 | 0.68 | MEN1 (0.48) | HRH3CYP3A4 | |
| SCHEMBL3182558 | 0.68 | SMN1; SMN2 (0.37) | — |
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-5561119-A | ANTITUMOR AGENTS | LABORATOIRES HOECHST (FR) | 1996-10-01 | — | — | US | disclosed |