Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 8/20 | 0.46 |
| ▸ | STS | P08842 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | SHBG | P04278 | 3/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20006549 | 0.77 | AKR1C3 (0.67) | AKR1C3ESR1STSESR2HSD17B1 | |
| SCHEMBL13951936 | 0.77 | STS (0.71) | ESR1STSESR2HSD17B1HSD17B10 | |
| SCHEMBL15973296 | 0.77 | STS (0.71) | ESR1STSESR2HSD17B1HSD17B10 | |
| SCHEMBL14048667 | 0.76 | HSD17B10 (0.73) | ESR1STSESR2ABCB11HSD17B10 | |
| SCHEMBL17525944 | 0.75 | SHBG (0.70) | AKR1C3ESR1STSESR2ABCB11 | |
| SCHEMBL15974295 | 0.75 | CYP17A1 (0.60) | AKR1C3ESR1 | |
| SCHEMBL20006567 | 0.75 | CYP17A1 (0.60) | AKR1C3ESR1 | |
| SCHEMBL15973298 | 0.74 | AKR1C3 (0.53) | AKR1C3ESR1STSESR2ABCB11 | |
| SCHEMBL14048666 | 0.74 | LMNA (0.56) | AKR1C3ESR1STSESR2ABCB11 | |
| SCHEMBL20006198 | 0.72 | AKR1C3 (0.65) | AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2958928-B1 | ESTRA-1,3,5(10),16-TETRAENE-3-CARBOXAMIDES FOR INHIBITION OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASE (AKR1 C3) | Bayer Pharma AG (DE) | 2018-03-28 | — | — | EP | disclosed |