Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 12/20 | 1.00 |
| ▸ | HSD17B2 | P37059 | 11/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 2/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 2/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 2/20 | 1.00 |
| ▸ | CYP2B6 | P20813 | 2/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 2/20 | 1.00 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.57 |
| ▸ | CLK1 | P49759 | 1/20 | 0.57 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 6/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8402862 | 0.85 | HSD17B1 (0.74) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30049 | 0.84 | HSD17B1 (0.76) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29673 | 0.84 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8401047 | 0.84 | HSD17B1 (0.72) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8400513 | 0.82 | HSD17B1 (0.80) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8405368 | 0.82 | HSD17B1 (0.69) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8402863 | 0.81 | HSD17B1 (0.68) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29786 | 0.81 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22632 | 0.80 | HSD17B1 (0.66) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8402816 | 0.80 | HSD17B1 (0.68) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2609089-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |