Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.36 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30259281 | 0.91 | IRAK4 (0.46) | PDE10ANPC1PKMRAB9AALDH1A1 | |
| SCHEMBL29373194 | 0.84 | NPC1 (0.47) | PDE10ANPC1PKMRAB9AKDM4E | |
| SCHEMBL29373916 | 0.82 | PDE10A (0.40) | PDE10AIRAK4HRH3SUV39H2 | |
| SCHEMBL30259279 | 0.80 | PDE10A (0.42) | PDE10ANPC1PKMRAB9AIRAK4 | |
| SCHEMBL30427342 | 0.79 | KDM4E (0.43) | NPC1PKMRAB9AALDH1A1MAPK1 | |
| SCHEMBL25124467 | 0.74 | PDE10A (0.42) | PDE10AIRAK4SUV39H2TLR9TLR7 | |
| SCHEMBL22234581 | 0.73 | IRAK4 (0.48) | PDE10ANPC1PKMRAB9AALDH1A1 | |
| SCHEMBL22235013 | 0.73 | IRAK4 (0.48) | PDE10ANPC1RAB9AALDH1A1MAPK1 | |
| SCHEMBL30259235 | 0.73 | IRAK4 (0.45) | NPC1PKMRAB9AALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL22235194 | 0.72 | IRAK4 (0.47) | PDE10ANPC1RAB9AALDH1A1MAPK1 |
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-2022026935-A1 | MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 2022-02-03 | — | — | WO | disclosed |