Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.39 |
| ▸ | APP | P05067 | 4/20 | 0.38 |
| ▸ | CHAT | P28329 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12707558 | 0.81 | TSHR (0.52) | CYP19A1MAOAMAOBNFE2L2APP | |
| SCHEMBL6311120 | 0.79 | CYP19A1 (0.42) | CYP19A1MAOAMAOBNFE2L2APP | |
| SCHEMBL6311119 | 0.79 | CYP19A1 (0.42) | CYP19A1MAOAMAOBNFE2L2APP | |
| SCHEMBL2775447 | 0.78 | CYP19A1 (0.68) | CYP19A1MAOAMAOBNFE2L2APP | |
| SCHEMBL2775445 | 0.78 | CYP19A1 (0.68) | CYP19A1MAOAMAOBNFE2L2APP | |
| SCHEMBL29397541 | 0.74 | MAOB (0.56) | CYP19A1MAOAMAOBNFE2L2CHAT | |
| SCHEMBL3885086 | 0.74 | MAOB (0.56) | CYP19A1MAOAMAOBNFE2L2CHAT | |
| SCHEMBL5431188 | 0.74 | MAOB (0.56) | CYP19A1MAOAMAOBNFE2L2CHAT | |
| (Z)-1,2-Diphenylethene SCHEMBL28164872 | 0.74 | MAOB (0.56) | CYP19A1MAOAMAOBNFE2L2CHAT | |
| SCHEMBL911942 | 0.74 | MAOB (0.56) | CYP19A1MAOAMAOBNFE2L2CHAT |
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-3444031-A1 | HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE | Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) | 2019-02-20 | — | — | EP | disclosed |