Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | LTK | P29376 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL22902442 | 0.78 | SMN1; SMN2 (0.40) | ALDH1A1CHEK1AURKADAPK3JAK2 | |
| SCHEMBL26051758 | 0.78 | HAVCR2 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL22902872 | 0.77 | MAP2K1 (0.38) | CHEK1AURKADAPK3JAK2MAP4K4 | |
| SCHEMBL22902514 | 0.71 | NPC1 (0.41) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL29523025 | 0.71 | NPC1 (0.41) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL12365545 | 0.67 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12537593 | 0.67 | ERN1 (0.31) | — | |
| SCHEMBL14537332 | 0.67 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL23755342 | 0.65 | RXFP1 (0.37) | ALDH1A1DYRK1AKDM4E | |
| SCHEMBL29942068 | 0.65 | RXFP1 (0.37) | ALDH1A1DYRK1AKDM4E |
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-3999508-B1 | TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2023-08-30 | — | — | EP | disclosed |