Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | STS | P08842 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23735 | 0.81 | HSD17B2 (0.60) | HSD17B1HSD17B2 | |
| SCHEMBL30916784 | 0.79 | TUBB4A (0.58) | HSD17B1HSD17B2MAPTMEN1KMT2A | |
| SCHEMBL23127 | 0.76 | CES2 (0.54) | CES2CES1CYP2C8PARP1STS | |
| SCHEMBL30916762 | 0.75 | TUBB4A (0.45) | L3MBTL1 | |
| SCHEMBL22396 | 0.73 | HSD17B1 (0.69) | HSD17B1HSD17B2 | |
| SCHEMBL23360 | 0.72 | HSD17B1 (0.64) | HSD17B1HSD17B2 | |
| SCHEMBL30916805 | 0.72 | TUBB4A (0.61) | ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL23339 | 0.71 | HSD17B2 (0.66) | HSD17B1HSD17B2MAPK13MAPK12MAPK11 | |
| SCHEMBL30916744 | 0.71 | MAPT (0.53) | HPGDALDH1A1MAPTKDM4ECNR2 | |
| SCHEMBL6870004 | 0.71 | HSD17B1 (0.64) | HSD17B1HSD17B2PARP1NPC1HPGD |
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-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 |