Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.66 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.60 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.60 |
| ▸ | ESR1 | P03372 | 4/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.60 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | SHBG | P04278 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | PGR | P06401 | 1/20 | 0.60 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | STS | P08842 | 1/20 | 0.60 |
| ▸ | AR | P10275 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL5502437 | 0.89 | HSD17B10 (0.67) | HSD17B10AKR1C3TSHRMAPK1CYP19A1 | |
| SCHEMBL14048588 | 0.89 | HSD17B10 (0.67) | HSD17B10AKR1C3TSHRMAPK1CYP19A1 | |
| SCHEMBL8937916 | 0.89 | HSD17B10 (0.67) | HSD17B10AKR1C3TSHRMAPK1CYP19A1 | |
| SCHEMBL6139792 | 0.89 | HSD17B10 (0.67) | HSD17B10AKR1C3TSHRMAPK1CYP19A1 | |
| SCHEMBL11882861 | 0.86 | HSD17B10 (0.66) | HSD17B10AKR1C3TSHRMAPK1CYP19A1 | |
| SCHEMBL13863744 | 0.83 | AKR1C3 (0.60) | HSD17B10AKR1C3TSHRMAPK1CYP19A1 | |
| SCHEMBL15971654 | 0.83 | MEN1 (0.74) | HSD17B10AKR1C3TSHRMAPK1CYP19A1 | |
| SCHEMBL29198757 | 0.83 | MEN1 (0.74) | HSD17B10AKR1C3TSHRMAPK1CYP19A1 | |
| SCHEMBL14569770 | 0.83 | HSD17B10 (0.70) | HSD17B10AKR1C3TSHRMAPK1CYP19A1 | |
| SCHEMBL11687810 | 0.83 | MEN1 (0.74) | HSD17B10AKR1C3TSHRMAPK1CYP19A1 |
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 2 patents. 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 |
| EP-2760878-B1 | ESTRA-1,3,5(10),16-TETRAENE-3-CARBOXAMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS | BAYER IP GMBH (DE) | 2015-10-28 | — | — | EP | disclosed |