Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 2/20 | 0.66 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | MAOB | P27338 | 4/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | FABP4 | P15090 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9812484 | 0.92 | NR4A2 (0.69) | NR4A2NPC1RAB9AMAOBMAOA | |
| SCHEMBL7170719 | 0.86 | NR4A2 (0.71) | NR4A2NPC1RAB9AMAOBMAOA | |
| SCHEMBL11849613 | 0.85 | NR4A2 (0.66) | NR4A2NPC1RAB9AMAOBMAOA | |
| SCHEMBL3618405 | 0.83 | MAPT (0.70) | NR4A2NPC1RAB9AMAOBMAOA | |
| SCHEMBL13483791 | 0.78 | MAOB (0.64) | NR4A2NPC1RAB9AMAOBMAOA | |
| SCHEMBL29001619 | 0.78 | SMN1; SMN2 (0.66) | NR4A2NPC1RAB9AMAOBMAOA | |
| SCHEMBL6408450 | 0.78 | NR4A2 (0.61) | NR4A2NPC1RAB9AMAOBMAOA | |
| SCHEMBL920476 | 0.78 | NR4A2 (0.57) | NR4A2NPC1RAB9AMAOBMAOA | |
| SCHEMBL11093923 | 0.78 | MAOB (0.69) | NR4A2NPC1RAB9AMAOBMAOA | |
| SCHEMBL2556153 | 0.77 | NR4A2 (0.60) | NR4A2NPC1RAB9AMAOBMAOA |
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-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 |