Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 6/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 8/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL23825285 | 1.00 | RIPK1 (0.38) | RIPK1KDM1AKDM1BSCN9ADPP4 | |
| SCHEMBL22013225 | 1.00 | RIPK1 (0.38) | RIPK1KDM1AKDM1BSCN9ADPP4 | |
| SCHEMBL22013223 | 0.87 | TRPA1 (0.44) | RIPK1KDM1AKDM1BSCN9ADPP4 | |
| SCHEMBL17848946 | 0.79 | KDM1A (0.41) | RIPK1KDM1AKDM1BSCN9AJAK2 | |
| SCHEMBL28623843 | 0.77 | DPP4 (0.38) | RIPK1KDM1AKDM1BDPP4JAK2 | |
| SCHEMBL28623840 | 0.77 | DPP4 (0.38) | RIPK1KDM1AKDM1BDPP4JAK2 | |
| SCHEMBL28613334 | 0.76 | TRPA1 (0.45) | RIPK1KDM1AKDM1BDPP4JAK2 | |
| SCHEMBL28613335 | 0.76 | TRPA1 (0.45) | RIPK1KDM1AKDM1BDPP4JAK2 | |
| SCHEMBL25587655 | 0.75 | RIPK1 (0.53) | RIPK1 | |
| SCHEMBL17821020 | 0.74 | CYP1A2 (0.44) | SCN9AJAK2NTRK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113166142-B | Five-membered and six-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors | 上海轶诺药业有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-114641476-B | Preparation and application of protein receptor kinase inhibitors | 上海轶诺药业有限公司 | 2023-05-02 | — | — | CN | disclosed |