Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 3/20 | 0.44 |
| ▸ | LYN | P07948 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10515809 | 0.90 | MAOB (0.48) | MAOBMAPTESR1ESR2CHEK1 | |
| SCHEMBL10517455 | 0.86 | GSTP1 (0.51) | MAOBGSTP1MCL1KDM4EALDH1A1 | |
| SCHEMBL4688380 | 0.76 | LTA4H (0.77) | KCNH2MCHR1CYP1A2LTA4HCYP2D6 | |
| SCHEMBL5904153 | 0.73 | KDM4E (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL10516469 | 0.71 | KDM4E (0.54) | L3MBTL1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL2886507 | 0.69 | MCHR1 (1.00) | KCNH2MCHR1CYP1A2LTA4HCYP2D6 | |
| SCHEMBL6799282 | 0.69 | MCL1 (0.63) | CYP1A2CYP2C19MAOBGSTP1MCL1 | |
| SCHEMBL10483018 | 0.69 | KDM4E (0.51) | CYP1A2CYP2C19L3MBTL1KDM4EALDH1A1 | |
| SCHEMBL5355715 | 0.68 | MAPK14 (0.50) | KDM4EDHODHDYRK1A | |
| SCHEMBL10514341 | 0.68 | GSK3B (0.54) | L3MBTL1KDM4EALDH1A1GAAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0308020-A2 | 5-(aryl and heteroaryl)-6-(aryl and heteroaryl)-1,2-dihydro-2-oxo 3-pyridinecarboxylic acids and derivatives thereof | MERCK & CO. INC. (US) | 1989-03-22 | — | — | EP | claimed |
| EP-0308020-A2 | 5-(aryl and heteroaryl)-6-(aryl and heteroaryl)-1,2-dihydro-2-oxo 3-pyridinecarboxylic acids and derivatives thereof | MERCK & CO. INC. (US) | 1989-03-22 | — | — | EP | disclosed |