Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLS | O94925 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1026191 | 0.87 | MAOA (0.50) | MAOAMAOBCYP19A1GRM2GRM3 | |
| SCHEMBL1025265 | 0.79 | MAOA (0.41) | MAOAMAOBCYP19A1GRM2GRM3 | |
| SCHEMBL1027535 | 0.78 | MAOA (0.39) | MAOAMAOBCYP19A1GRM2GRM3 | |
| SCHEMBL1025182 | 0.77 | MAOA (0.44) | MAOAMAOBCYP19A1GRM2GRM3 | |
| SCHEMBL1026880 | 0.77 | THRA (0.39) | MAOAMAOBGRM2GRM3ALDH1A1 | |
| SCHEMBL1026509 | 0.77 | CYP1A2 (0.36) | MAOAMAOBGRM2GRM3ALDH1A1 | |
| SCHEMBL1025177 | 0.76 | KCNQ4 (0.36) | NOS3NOS1 | |
| SCHEMBL1073095 | 0.76 | NPSR1 (0.45) | MAOAMAOBCYP19A1ALDH1A1MAPT | |
| SCHEMBL1024630 | 0.76 | FFAR1 (0.43) | ALDH1A1MAPT | |
| SCHEMBL1025107 | 0.76 | MAOA (0.43) | MAOAMAOBCYP19A1GRM2GRM3 |
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-2274288-A2 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | Incyte Corporation (US) | 2011-01-19 | — | — | EP | disclosed |