Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4441619 | 0.93 | IKBKB (0.42) | MEN1NPC1LMNAMAPTALOX12 | |
| SCHEMBL4883643 | 0.85 | MEN1 (0.47) | MEN1NPC1LMNAMAPTALOX12 | |
| SCHEMBL4622257 | 0.85 | MEN1 (0.48) | MEN1NPC1LMNAMAPTALOX12 | |
| SCHEMBL4622719 | 0.85 | MEN1 (0.46) | MEN1NPC1LMNAMAPTALOX12 | |
| Hydrochloric Acid SCHEMBL4885375 | 0.84 | MEN1 (0.47) | MEN1NPC1LMNAMAPTALOX12 | |
| SCHEMBL14020157 | 0.84 | MEN1 (0.49) | MEN1NPC1LMNAMAPTALOX12 | |
| Hydrochloric Acid SCHEMBL4883215 | 0.84 | MEN1 (0.45) | MEN1NPC1LMNAMAPTALOX12 | |
| SCHEMBL14020199 | 0.84 | DRD2 (0.40) | MEN1NPC1LMNAMAPTALOX12 | |
| SCHEMBL14020209 | 0.84 | DRD2 (0.39) | MEN1NPC1LMNAMAPTALOX12 | |
| Hydrochloric Acid SCHEMBL4882044 | 0.83 | MEN1 (0.48) | MEN1NPC1LMNAMAPTALOX12 |
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-2009056693-A1 | NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2009-05-07 | — | — | WO | disclosed |