Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 8/20 | 0.67 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.48 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.46 |
| ▸ | STS | P08842 | 3/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15971652 | 0.81 | AKR1C3 (1.00) | AKR1C3HSD17B1ESR1CYP3A4STS | |
| SCHEMBL15973918 | 0.79 | STS (0.73) | AKR1C3HSD17B1ESR1CYP3A4STS | |
| SCHEMBL15625977 | 0.79 | STS (0.73) | AKR1C3HSD17B1ESR1CYP3A4STS | |
| SCHEMBL12966596 | 0.79 | STS (0.73) | AKR1C3HSD17B1ESR1CYP3A4STS | |
| SCHEMBL20006619 | 0.77 | AKR1C3 (0.56) | AKR1C3HSD17B1ESR1CYP3A4STS | |
| SCHEMBL14817226 | 0.77 | AKR1C3 (0.66) | AKR1C3HSD17B1ESR1CYP3A4SRD5A2 | |
| SCHEMBL17465596 | 0.77 | AKR1C3 (0.69) | AKR1C3HSD17B1ESR1CYP3A4STS | |
| SCHEMBL20006554 | 0.77 | AKR1C3 (0.69) | AKR1C3HSD17B1ESR1CYP3A4STS | |
| SCHEMBL15973525 | 0.77 | AKR1C3 (0.69) | AKR1C3HSD17B1ESR1CYP3A4STS | |
| SCHEMBL15973523 | 0.77 | AKR1C3 (0.69) | AKR1C3HSD17B1ESR1CYP3A4STS |
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 |