Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 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 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23072 | 0.72 | CYP3A4 (0.45) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL31384 | 0.72 | SCD (0.47) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL3235197 | 0.71 | CYP3A4 (0.71) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL16151069 | 0.68 | CYP3A4 (0.72) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL3242108 | 0.67 | CYP3A4 (0.67) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL2901494 | 0.67 | PPARG (0.45) | CYP3A4NPC1RAB9AL3MBTL1MAOA | |
| SCHEMBL778719 | 0.67 | CYP3A4 (0.71) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL24133664 | 0.66 | CYP3A4 (0.70) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL16319058 | 0.66 | ALOX5 (0.53) | NPC1RAB9AL3MBTL1MAOAMAOB | |
| SCHEMBL695873 | 0.66 | S1PR1 (0.57) | NPC1RAB9AL3MBTL1MAOAMAOB |
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 |