Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22632 | 0.84 | HSD17B1 (0.66) | SCDCA12CA1CA2CA7 | |
| SCHEMBL23072 | 0.79 | CYP3A4 (0.45) | SCDCA12CA1CA2CA7 | |
| SCHEMBL30666 | 0.77 | HSD17B1 (0.59) | SCDHSD17B1HSD17B2CYP3A4CYP1A2 | |
| SCHEMBL23147 | 0.73 | HSD17B1 (0.67) | SCDHSD17B1HSD17B2CYP3A4CYP1A2 | |
| SCHEMBL1304054 | 0.73 | PDE10A (0.57) | SCDHSD17B1HSD17B2PPARASMN1; SMN2 | |
| SCHEMBL23071 | 0.72 | CYP3A4 (0.45) | SCDCA12CA1CA2CA7 | |
| SCHEMBL2901494 | 0.71 | PPARG (0.45) | CYP3A4MEN1KMT2A | |
| SCHEMBL29409746 | 0.70 | PPARA (0.46) | CA12CA1CA2CA9HSD17B1 | |
| SCHEMBL19987871 | 0.70 | MAOB (0.46) | CYP3A4CYP1A2CYP2C9MAPTMEN1 | |
| SCHEMBL31285 | 0.70 | HSD17B1 (0.51) | SCDHSD17B1HSD17B2CYP3A4CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |