Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 8/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ZAP70 | P43403 | 2/20 | 0.47 |
| ▸ | STS | P08842 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.46 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12418539 | 0.91 | HSD17B1 (0.63) | HSD17B1KDM4EALDH1A1STSMAPT | |
| SCHEMBL12379510 | 0.89 | HSD17B1 (0.76) | HSD17B1KDM4EALDH1A1STSMAPT | |
| SCHEMBL12379501 | 0.88 | HSD17B1 (1.00) | HSD17B1ESR1STSMAPTLMNA | |
| SCHEMBL12418389 | 0.86 | HSD17B1 (0.67) | HSD17B1ESR1STS | |
| SCHEMBL12418540 | 0.82 | HSD17B1 (0.53) | HSD17B1KDM4EALDH1A1ZAP70HRH3 | |
| SCHEMBL12418333 | 0.80 | HSD17B1 (0.63) | HSD17B1KDM4EALDH1A1STSMAPT | |
| SCHEMBL7124873 | 0.79 | HSD17B1 (0.64) | HSD17B1KDM4EALDH1A1ESR1STS | |
| SCHEMBL7124870 | 0.79 | HSD17B1 (0.64) | HSD17B1KDM4EALDH1A1ESR1STS | |
| SCHEMBL12379505 | 0.79 | USP2 (0.64) | HSD17B1KDM4EALDH1A1STSMAPT | |
| SCHEMBL12418958 | 0.78 | HSD17B1 (0.82) | HSD17B1ESR1STSMAPTLMNA |
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 |