Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 13/20 | 0.65 |
| ▸ | MAOA | P21397 | 11/20 | 0.65 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | GRM5 | P41594 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | WNT3A | P56704 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30273021 | 0.86 | MAOB (0.60) | MAOBMAOANPC1ALDH1A1HPGD | |
| SCHEMBL21381062 | 0.86 | MAOB (0.60) | MAOBMAOANPC1ALDH1A1HPGD | |
| SCHEMBL21213879 | 0.79 | MAOB (1.00) | MAOBMAOANPC1ALDH1A1HPGD | |
| SCHEMBL21381133 | 0.77 | MAOB (0.60) | MAOBMAOANPC1ALDH1A1HPGD | |
| SCHEMBL18352140 | 0.74 | KDM4E (0.47) | MAOBMAOANPC1ALDH1A1HPGD | |
| SCHEMBL30539326 | 0.73 | MAOB (0.67) | MAOBMAOANPC1ALDH1A1HPGD | |
| SCHEMBL21780864 | 0.73 | MAOB (0.67) | MAOBMAOANPC1ALDH1A1HPGD | |
| SCHEMBL4731619 | 0.73 | MAOB (1.00) | MAOBMAOANPC1ALDH1A1HPGD | |
| SCHEMBL12470264 | 0.72 | MAOB (0.70) | MAOBMAOANPC1ALDH1A1HPGD | |
| SCHEMBL6836955 | 0.71 | MAOB (0.81) | MAOBMAOANPC1ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233828-B1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2020-03-04 | — | — | EP | disclosed |