Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 6/20 | 0.34 |
| ▸ | MAOB | P27338 | 6/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 4/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | AOC2 | O75106 | 5/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29615809 | 0.79 | NFKB1 (0.39) | ARADORA3MAOAMAOBCYP3A4 | |
| SCHEMBL3283381 | 0.79 | NFKB1 (0.39) | ARADORA3MAOAMAOBCYP3A4 | |
| SCHEMBL5914697 | 0.74 | MAOB (0.38) | MAOAMAOBHTR2AAOC2DAO | |
| SCHEMBL30146748 | 0.73 | MAOA (0.39) | MAOAMAOBAOC2DAO | |
| SCHEMBL7557445 | 0.73 | MAOA (0.39) | MAOAMAOBAOC2DAO | |
| SCHEMBL30728429 | 0.68 | GABRA1 (0.52) | MAPTNPSR1 | |
| SCHEMBL2049681 | 0.68 | MEN1 (0.41) | ARADORA3HSD11B1AKR1C3HTR2A | |
| SCHEMBL4884380 | 0.68 | NISCH (0.49) | ARADORA3HSD11B1AKR1C3DRD1 | |
| SCHEMBL2967628 | 0.68 | OPRM1 (0.34) | HSD11B1MAOAMAOBCYP3A4MAPT | |
| SCHEMBL754483 | 0.66 | AR (0.46) | ARADORA3HSD11B1AKR1C3MAOA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190391092-A1 | METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS) | Oregon Institute of Science and Medicine | 2019-12-26 | — | — | US | disclosed |
| CN-102503924-A | Flavane (isoflavane) urease inhibitor and synthesis and use thereof | UNIV JISHOU | 2012-06-20 | — | — | CN | disclosed |
| WO-2010039679-A1 | COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS | THE HOSPITAL FOR SICK CHILDREN (CA) | 2010-04-08 | — | — | WO | disclosed |
| US-20030027772-A1 | Composition containing at least one inhibitor of the enzyme 3-beta-HSD | L'OREAL (FR) | 2003-02-06 | — | — | US | disclosed |