Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | FABP4 | P15090 | 2/20 | 0.34 |
| ▸ | FABP5 | Q01469 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6582523 | 0.70 | DDAH1 (0.42) | SMN1; SMN2KDM4EALDH1A1DDAH1MAPT | |
| SCHEMBL11053617 | 0.67 | ESR1 (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL4066174 | 0.66 | CNR2 (0.48) | DHODHGRIN1GRIN2B | |
| SCHEMBL28193908 | 0.66 | HTT (0.40) | SMN1; SMN2KDM4EALDH1A1DDAH1RPS6KA3 | |
| SCHEMBL12532869 | 0.64 | RPS6KA3 (0.48) | TP53L3MBTL1DHODHSMN1; SMN2CYP1A2 | |
| SCHEMBL5778738 | 0.64 | HTT (0.50) | L3MBTL1SMN1; SMN2KDM4EALDH1A1DDAH1 | |
| SCHEMBL10713350 | 0.63 | DCTPP1 (0.35) | KDM4EDCTPP1 | |
| SCHEMBL12350677 | 0.63 | PRKAG1 (0.46) | TP53SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4249338 | 0.63 | AHR (0.36) | TP53L3MBTL1FABP4FABP5FABP3 | |
| SCHEMBL7022293 | 0.62 | CHEK1 (0.37) | KDM4EALDH1A1DDAH1HTT |
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-0252507-A1 | 2-(4-Pyridylaminomethyl)-benzimidazole derivatives having antiviral activity | Maruishi Seiyaku Kabushiki Kaisha (JP) | 1988-01-13 | — | — | EP | disclosed |