Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SCD | O00767 | 1/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.49 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.46 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL23661 | 0.88 | TSHR (0.75) | GAATSHRMAPK1RAB9AMEN1 | |
| SCHEMBL900715 | 0.79 | GAA (0.73) | GAATSHRMAPK1RAB9AMEN1 | |
| SCHEMBL2609435 | 0.77 | CYP1A2 (0.61) | GAATSHRRAB9AMEN1KMT2A | |
| SCHEMBL30663 | 0.77 | GAA (0.50) | GAATSHRMAPK1RAB9AMEN1 | |
| SCHEMBL900504 | 0.76 | MAPK1 (0.58) | GAATSHRMAPK1RAB9AMEN1 | |
| SCHEMBL5968626 | 0.75 | CYP1A2 (0.62) | GAATSHRRAB9AMEN1KMT2A | |
| SCHEMBL2093768 | 0.74 | AOC3 (0.59) | TSHRMAPK1RAB9ANPC1ALDH1A1 | |
| SCHEMBL900421 | 0.74 | HPGD (0.58) | GAATSHRMAPK1MEN1KMT2A | |
| SCHEMBL16155839 | 0.73 | CYP1A2 (0.49) | GAATSHRMAPK1RAB9AMEN1 | |
| SCHEMBL23660 | 0.72 | GAA (0.67) | GAATSHRMAPK1RAB9AMEN1 |
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 |