Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.73 |
| ▸ | RAB9A | P51151 | 10/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.72 |
| ▸ | MEN1 | O00255 | 6/20 | 0.72 |
| ▸ | SCD | O00767 | 5/20 | 0.72 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.71 |
| ▸ | FES | P07332 | 1/20 | 0.71 |
| ▸ | PIM1 | P11309 | 1/20 | 0.71 |
| ▸ | CDK2 | P24941 | 1/20 | 0.71 |
| ▸ | GSK3A | P49840 | 1/20 | 0.71 |
| ▸ | GSK3B | P49841 | 1/20 | 0.71 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.71 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.71 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.71 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.71 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.71 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.71 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.71 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.71 |
| ▸ | CSNK1G3 | Q9Y6M4 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL4920242 | 0.91 | RAB9A (0.79) | NPC1RAB9AKMT2AMEN1SCD | |
| SCHEMBL31005 | 0.87 | RAB9A (0.83) | NPC1RAB9AKMT2AMEN1SCD | |
| SCHEMBL4919731 | 0.85 | RAB9A (1.00) | NPC1RAB9AKMT2AMEN1SCD | |
| SCHEMBL4937471 | 0.85 | CASP3 (0.73) | NPC1RAB9AKMT2AMEN1SCD | |
| SCHEMBL16681363 | 0.85 | SCD (0.88) | NPC1RAB9AKMT2AMEN1SCD | |
| SCHEMBL17433465 | 0.84 | MAPT (0.85) | NPC1RAB9AKMT2AMEN1DCLK1 | |
| SCHEMBL30847 | 0.84 | RAB9A (0.75) | NPC1RAB9AKMT2AMEN1SCD | |
| SCHEMBL31243 | 0.84 | SCD (1.00) | NPC1RAB9AKMT2AMEN1SCD | |
| SCHEMBL4913650 | 0.83 | SCD (0.88) | NPC1RAB9AKMT2AMEN1SCD | |
| SCHEMBL31087 | 0.82 | DCLK1 (0.67) | NPC1RAB9AKMT2AMEN1SCD |
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 |