Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 4/20 | 0.35 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | TEK | Q02763 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 6/20 | 0.34 |
| ▸ | SLC2A3 | P11169 | 6/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29056197 | 0.89 | PDE4B (0.46) | PDE4BKDM4ESLC22A12KDRBRAF | |
| SCHEMBL29056239 | 0.88 | SLC22A12 (0.45) | PDE4BKDM4ESLC22A12TNKSPARP1 | |
| SCHEMBL29056212 | 0.86 | PDE4B (0.45) | PDE4BKDM4ESLC22A12KDRBRAF | |
| SCHEMBL29056193 | 0.83 | PDE4B (0.48) | PDE4BKDM4EKDRBRAFRAF1 | |
| SCHEMBL29056196 | 0.80 | PDE4B (0.48) | PDE4BKDM4EKDRBRAFDYRK1A | |
| SCHEMBL30542646 | 0.80 | PDE4B (0.48) | PDE4BKDM4EKDRBRAFDYRK1A | |
| SCHEMBL29056233 | 0.80 | KDM4E (0.40) | PDE4BKDM4ESLC22A12KDRDYRK1A | |
| SCHEMBL29056210 | 0.80 | KDM4E (0.40) | PDE4BKDM4EKDRBRAFDYRK1A | |
| SCHEMBL29056227 | 0.79 | SLC22A12 (0.44) | PDE4BKDM4ESLC22A12MAOBGRM5 | |
| SCHEMBL29056252 | 0.78 | ABCG2 (0.51) | KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-116640095-A | Diaryl amine derivative containing aliphatic carboxyl and preparation method and application thereof | 山东大学 | 2023-08-25 | — | — | CN | disclosed |