Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 11/20 | 0.82 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 6/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | SHBG | P04278 | 2/20 | 0.58 |
| ▸ | PGR | P06401 | 2/20 | 0.58 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.58 |
| ▸ | AR | P10275 | 2/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | SNCA | P37840 | 2/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.58 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | STS | P08842 | 1/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL12379501 | 0.90 | HSD17B1 (1.00) | HSD17B1AKR1C3ESR1ESR2CYP3A4 | |
| SCHEMBL12593969 | 0.89 | HSD17B1 (0.80) | HSD17B1AKR1C3ESR1ESR2CYP3A4 | |
| SCHEMBL12379508 | 0.89 | HSD17B1 (0.80) | HSD17B1AKR1C3ESR1ESR2CYP3A4 | |
| SCHEMBL12379562 | 0.88 | HSD17B1 (1.00) | HSD17B1AKR1C3ESR1ESR2CYP3A4 | |
| SCHEMBL12379557 | 0.87 | HSD17B1 (0.82) | HSD17B1AKR1C3ESR1ESR2CYP3A4 | |
| SCHEMBL12379530 | 0.86 | HSD17B1 (0.76) | HSD17B1AKR1C3ESR1ESR2CYP3A4 | |
| SCHEMBL12418333 | 0.86 | HSD17B1 (0.63) | HSD17B1CYP3A4MAPTLMNASTS | |
| SCHEMBL12379559 | 0.86 | HSD17B1 (0.81) | HSD17B1AKR1C3ESR1ESR2CYP3A4 | |
| SCHEMBL15307738 | 0.86 | HSD17B1 (0.79) | HSD17B1ESR1ESR2CYP3A4MAPT | |
| SCHEMBL12379386 | 0.85 | HSD17B1 (0.68) | HSD17B1AKR1C3ESR1ESR2CYP3A4 |
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-8003783-B2 | Steroid 17 beta -hydroxysteroid dehydrogenase inhibitors substituted with one or more oxime groups, especially aromatase inhibitors used in the treatment of endocrine-dependent tumors, especially breast cancer | STERIX LIMITED (GB) | 2011-08-23 | — | — | US | disclosed |