Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | SCD | O00767 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31384 | 0.79 | SCD (0.47) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL30663 | 0.77 | GAA (0.50) | CYP3A4TSHRMAPK1GAASCD | |
| SCHEMBL23071 | 0.72 | CYP3A4 (0.45) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL2901494 | 0.71 | PPARG (0.45) | CYP3A4NPC1RAB9AL3MBTL1MEN1 | |
| SCHEMBL3235197 | 0.69 | CYP3A4 (0.71) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL19987871 | 0.68 | MAOB (0.46) | CYP3A4MAPTNPC1RAB9AL3MBTL1 | |
| SCHEMBL16151069 | 0.68 | CYP3A4 (0.72) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL1390500 | 0.67 | CYP3A4 (0.55) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL2901054 | 0.67 | MAOB (0.47) | CYP3A4NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL3242108 | 0.67 | CYP3A4 (0.67) | CYP3A4CA12CA1CA2CA7 |
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 |