Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 7/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ZAP70 | P43403 | 3/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CTRC | Q99895 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12379546 | 0.91 | HSD17B1 (0.51) | HSD17B1KDM4EALDH1A1HRH3CYP3A4 | |
| SCHEMBL12379513 | 0.90 | HSD17B1 (0.64) | HSD17B1CYP3A4 | |
| SCHEMBL12418537 | 0.82 | HSD17B1 (0.78) | HSD17B1KDM4EALDH1A1ZAP70HRH3 | |
| SCHEMBL12418539 | 0.79 | HSD17B1 (0.63) | HSD17B1KDM4EALDH1A1CYP3A4 | |
| SCHEMBL12379510 | 0.72 | HSD17B1 (0.76) | HSD17B1KDM4EALDH1A1HRH3CYP3A4 | |
| SCHEMBL12379501 | 0.70 | HSD17B1 (1.00) | HSD17B1CYP3A4 | |
| SCHEMBL12379457 | 0.70 | ESR1 (0.48) | HSD17B1CYP3A4 | |
| SCHEMBL12418333 | 0.70 | HSD17B1 (0.63) | HSD17B1KDM4EALDH1A1HRH3CYP3A4 | |
| SCHEMBL7124873 | 0.69 | HSD17B1 (0.64) | HSD17B1KDM4EALDH1A1CYP3A4 | |
| SCHEMBL7124870 | 0.69 | HSD17B1 (0.64) | HSD17B1KDM4EALDH1A1CYP3A4 |
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 |