Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | CHAT | P28329 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 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 | |
|---|---|---|---|---|
| SCHEMBL355020 | 0.72 | MAOB (0.50) | MAOBALOX15CHATTRPA1RELA | |
| SCHEMBL2270563 | 0.72 | MAOB (0.50) | MAOBALOX15CHATTRPA1RELA | |
| SCHEMBL29076631 | 0.71 | MAOB (0.55) | MAOBALOX15CHATTRPA1RELA | |
| SCHEMBL7633183 | 0.69 | MAOB (0.52) | MAOBCYP2C19CHATTRPA1RELA | |
| SCHEMBL26917 | 0.67 | CYP2C19 (0.55) | MAOBCYP2C19EGFRCHATTRPA1 | |
| SCHEMBL5617360 | 0.67 | MAOB (0.50) | MAOBALOX15CHATTRPA1GLA | |
| SCHEMBL8072802 | 0.67 | MAOB (0.50) | MAOBALOX15CHATTRPA1RELA | |
| SCHEMBL9202420 | 0.67 | MAOB (0.50) | MAOBALOX15CHATTRPA1NFE2L2 | |
| SCHEMBL8845315 | 0.67 | MAOB (0.50) | MAOBALOX15TRPA1NFE2L2CYP19A1 | |
| SCHEMBL6286942 | 0.67 | CYP2C19 (0.55) | MAOBCYP2C19EGFRCHATTRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006069096-A1 | SILANOL DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | PHARMACYCLICS, INC. (US) | 2006-06-29 | — | — | WO | disclosed |