Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 19/20 | 0.73 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4799170 | 0.96 | HSD17B3 (0.66) | HSD17B3CYP11B1CYP11B2 | |
| SCHEMBL6388973 | 0.92 | HSD17B3 (0.81) | HSD17B3CYP11B1CYP11B2 | |
| SCHEMBL6392589 | 0.88 | HSD17B3 (0.73) | HSD17B3CYP11B1CYP11B2 | |
| Trifluoroacetic Acid SCHEMBL4800399 | 0.87 | HSD17B3 (0.72) | HSD17B3 | |
| SCHEMBL4800055 | 0.85 | HSD17B3 (1.00) | HSD17B3CYP11B1CYP11B2 | |
| Trifluoroacetic Acid SCHEMBL4797354 | 0.82 | HSD17B3 (0.66) | HSD17B3 | |
| Trifluoroacetic Acid SCHEMBL4797968 | 0.79 | HSD17B3 (0.59) | HSD17B3 | |
| SCHEMBL6395563 | 0.78 | HSD17B3 (0.79) | HSD17B3 | |
| Trifluoroacetic Acid SCHEMBL4800222 | 0.77 | HSD17B3 (0.70) | HSD17B3CYP11B1CYP11B2 | |
| SCHEMBL4799408 | 0.77 | HSD17B3 (0.77) | HSD17B3 |
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-7417040-B2 | Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-08-26 | — | — | US | disclosed |