Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 19/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6768415 | 0.70 | HSD17B2 (0.39) | HSD17B2ALDH1A1GAATSHR | |
| SCHEMBL6768409 | 0.67 | HSD17B2 (0.42) | HSD17B2ALDH1A1GAATSHR | |
| SCHEMBL6772387 | 0.67 | HSD17B2 (0.42) | HSD17B2ALDH1A1GAATSHR | |
| SCHEMBL8882439 | 0.63 | EPHX1 (0.39) | HSD17B2 | |
| SCHEMBL11549245 | 0.63 | EPHX1 (0.39) | HSD17B2 | |
| SCHEMBL8882442 | 0.63 | EPHX1 (0.39) | HSD17B2 | |
| SCHEMBL12733121 | 0.63 | ALDH1A1 (0.35) | ALDH1A1GAA | |
| SCHEMBL6768102 | 0.63 | HSD17B2 (0.53) | HSD17B2ALDH1A1GAATSHR | |
| SCHEMBL6777855 | 0.63 | HSD17B2 (0.53) | HSD17B2ALDH1A1GAATSHR | |
| SCHEMBL5182311 | 0.62 | DAO (0.37) | — |
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-1326829-A2 | 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS | Bayer Pharmaceuticals Corporation (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002026706-A2 | 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2002-04-04 | — | — | WO | disclosed |