Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL12439723 | 0.84 | MAOB (0.62) | MAOBCYP1A2CYP2C19LMNAPTGS1 | |
| SCHEMBL20385730 | 0.80 | NOS3 (0.44) | MAOBCYP11B1CYP11B2GRM5MAOA | |
| SCHEMBL1145726 | 0.78 | GRM5 (0.39) | MAOBCYP11B1CYP11B2GRM5 | |
| SCHEMBL6479355 | 0.78 | CALM1 (0.43) | MAOBCYP1A2CYP2C19LMNACYP3A4 | |
| SCHEMBL1145730 | 0.78 | GRM5 (0.41) | GRM5MAOAALDH1A1 | |
| SCHEMBL4016988 | 0.75 | GRM5 (0.38) | GRM5 | |
| SCHEMBL25909279 | 0.75 | MAOB (0.42) | MAOBCYP11B1CYP11B2GRM5MAOA | |
| SCHEMBL1248693 | 0.75 | MAOB (0.66) | MAOBFFAR1FFAR4GRM5MAOA | |
| SCHEMBL10157091 | 0.75 | GRM5 (0.49) | MAOBFFAR1CYP1A2CYP2C19LMNA | |
| SCHEMBL3370181 | 0.75 | GRM5 (0.52) | MAOBCYP11B1CYP11B2CYP1A2CYP2C19 |
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-2012052390-A1 | N-2-(2-PYRIDINYL)-4-PYRIMIDINYL-BETA-ALANINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE JMJD3 | GLAXO GROUP LIMITED (GB) | 2012-04-26 | — | — | WO | disclosed |