Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 7/20 | 0.72 |
| ▸ | ESR1 | P03372 | 5/20 | 0.69 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.69 |
| ▸ | SHBG | P04278 | 3/20 | 0.69 |
| ▸ | LMNA | P02545 | 3/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.69 |
| ▸ | PGR | P06401 | 2/20 | 0.69 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.69 |
| ▸ | AR | P10275 | 2/20 | 0.69 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.69 |
| ▸ | SNCA | P37840 | 2/20 | 0.69 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.69 |
| ▸ | STS | P08842 | 2/20 | 0.69 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.69 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.69 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL8042961 | 1.00 | HSD17B1 (0.72) | HSD17B1ESR1ESR2SHBGLMNA | |
| SCHEMBL13123064 | 0.88 | HSD17B1 (0.72) | HSD17B1ESR1ESR2SHBGLMNA | |
| SCHEMBL224256 | 0.88 | HSD17B1 (0.72) | HSD17B1ESR1ESR2SHBGLMNA | |
| SCHEMBL13123066 | 0.88 | HSD17B1 (0.72) | HSD17B1ESR1ESR2SHBGLMNA | |
| SCHEMBL2310466 | 0.88 | HSD17B1 (0.72) | HSD17B1ESR1ESR2SHBGLMNA | |
| SCHEMBL23711105 | 0.88 | HSD17B1 (0.72) | HSD17B1ESR1ESR2SHBGLMNA | |
| SCHEMBL11861252 | 0.88 | HSD17B1 (0.72) | HSD17B1ESR1ESR2SHBGLMNA | |
| SCHEMBL193937 | 0.88 | HSD17B1 (0.72) | HSD17B1ESR1ESR2SHBGLMNA | |
| SCHEMBL21631888 | 0.88 | HSD17B1 (0.72) | HSD17B1ESR1ESR2SHBGLMNA | |
| SCHEMBL29382203 | 0.88 | HSD17B1 (0.72) | HSD17B1ESR1ESR2SHBGLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012051988-A2 | DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION | JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) | 2012-04-26 | — | — | WO | disclosed |