Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 7/20 | 0.66 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.66 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | SCD | O00767 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | GCGR | P47871 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31384 | 0.84 | SCD (0.47) | HSD17B1HSD17B2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL29654 | 0.80 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL1304054 | 0.78 | PDE10A (0.57) | HSD17B1HSD17B2SCDMAOBSMN1; SMN2 | |
| SCHEMBL1923788 | 0.75 | MAOB (0.62) | CYP1A2CYP2C19MAOBLMNA | |
| SCHEMBL3235197 | 0.74 | CYP3A4 (0.71) | CYP3A4CYP2D6CA12CA1CA2 | |
| SCHEMBL23147 | 0.72 | HSD17B1 (0.67) | HSD17B1HSD17B2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL29801 | 0.72 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL10473859 | 0.72 | CA2 (1.00) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL30687 | 0.71 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8404873 | 0.71 | HSD17B1 (0.72) | HSD17B1HSD17B2CYP3A4CYP1A2CYP2D6 |
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 5 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 | claimed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | claimed |
| 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 |