Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.66 |
| ▸ | HSD17B2 | P37059 | 18/20 | 0.64 |
| ▸ | HSD17B1 | P14061 | 15/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL23779 | 0.90 | HSD17B2 (0.67) | HDAC6HSD17B2HSD17B1 | |
| SCHEMBL23125 | 0.88 | HSD17B2 (0.65) | HDAC6HSD17B2HSD17B1KDM4ENPC1 | |
| SCHEMBL24451 | 0.86 | HSD17B1 (0.80) | HDAC6HSD17B2HSD17B1 | |
| SCHEMBL23075 | 0.85 | HDAC6 (0.58) | HDAC6HSD17B2HSD17B1 | |
| SCHEMBL18195278 | 0.85 | HSD17B2 (0.65) | HDAC6HSD17B2HSD17B1 | |
| SCHEMBL23236 | 0.84 | HSD17B2 (0.62) | HDAC6HSD17B2HSD17B1 | |
| SCHEMBL2247416 | 0.83 | HDAC6 (0.72) | HDAC6HSD17B2HSD17B1 | |
| SCHEMBL12495328 | 0.82 | HSD17B2 (0.60) | HDAC6HSD17B2HSD17B1KDM4ENPC1 | |
| SCHEMBL30620 | 0.82 | HSD17B2 (0.58) | HDAC6HSD17B2HSD17B1 | |
| SCHEMBL5613367 | 0.82 | HDAC6 (0.71) | HDAC6HSD17B2HSD17B1 |
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 |