Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 17/20 | 0.59 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
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 SCHEMBL4796955 | 0.96 | HSD17B3 (0.64) | HSD17B3NOTUMUSP30 | |
| SCHEMBL6390320 | 0.90 | HSD17B3 (0.72) | HSD17B3NOTUMCYP11B1CYP11B2 | |
| Trifluoroacetic Acid SCHEMBL4796891 | 0.85 | HSD17B3 (0.50) | HSD17B3NOTUMUSP30 | |
| Trifluoroacetic Acid SCHEMBL4801509 | 0.84 | HSD17B3 (0.64) | HSD17B3CYP11B1CYP11B2 | |
| Trifluoroacetic Acid SCHEMBL4797354 | 0.83 | HSD17B3 (0.66) | HSD17B3NOTUM | |
| Trifluoroacetic Acid SCHEMBL4800486 | 0.81 | HSD17B3 (0.55) | HSD17B3NOTUM | |
| SCHEMBL4798951 | 0.81 | HSD17B3 (0.61) | HSD17B3NOTUMUSP30CYP11B1CYP11B2 | |
| Trifluoroacetic Acid SCHEMBL4800384 | 0.81 | HSD17B3 (0.64) | HSD17B3NOTUM | |
| Trifluoroacetic Acid SCHEMBL4800115 | 0.80 | HSD17B3 (0.56) | HSD17B3NOTUM | |
| Trifluoroacetic Acid SCHEMBL4800222 | 0.80 | HSD17B3 (0.70) | HSD17B3CYP11B1CYP11B2 |
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 |