Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 4/20 | 0.69 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.69 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8402838 | 0.86 | HSD17B1 (0.64) | HSD17B1HSD17B2NPC1RAB9AMEN1 | |
| SCHEMBL30921 | 0.85 | HSD17B1 (0.73) | HSD17B1HSD17B2NPC1RAB9AMEN1 | |
| SCHEMBL31410 | 0.85 | HSD17B1 (0.73) | HSD17B1HSD17B2NPC1RAB9AMEN1 | |
| SCHEMBL8404873 | 0.84 | HSD17B1 (0.72) | HSD17B1HSD17B2NPC1RAB9AMEN1 | |
| SCHEMBL3634489 | 0.83 | HSD17B1 (0.63) | HSD17B1HSD17B2NPC1RAB9AMEN1 | |
| SCHEMBL30014 | 0.82 | HSD17B1 (1.00) | HSD17B1HSD17B2MAPTMAOBCYP1A2 | |
| SCHEMBL30687 | 0.82 | HSD17B1 (1.00) | HSD17B1HSD17B2NPC1RAB9AMEN1 | |
| SCHEMBL8402858 | 0.82 | HSD17B1 (0.69) | HSD17B1HSD17B2NPC1RAB9AMEN1 | |
| SCHEMBL8405370 | 0.81 | HSD17B1 (0.74) | HSD17B1HSD17B2NPC1RAB9AMEN1 | |
| SCHEMBL8403873 | 0.81 | HSD17B1 (0.67) | HSD17B1HSD17B2NPC1RAB9AMEN1 |
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 |