Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 6/20 | 0.50 |
| ▸ | JAK2 | O60674 | 5/20 | 0.50 |
| ▸ | TYK2 | P29597 | 1/20 | 0.50 |
| ▸ | JAK3 | P52333 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CKS1B | P61024 | 1/20 | 0.41 |
| ▸ | SKP1 | P63208 | 1/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 5/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28414964 | 0.79 | OPRL1 (0.46) | JAK1JAK2TYK2JAK3KDM1A | |
| SCHEMBL30209415 | 0.79 | OPRL1 (0.46) | JAK1JAK2TYK2JAK3KDM1A | |
| SCHEMBL21187176 | 0.77 | IDO1 (0.60) | IDO1 | |
| SCHEMBL23061556 | 0.75 | IDO1 (0.50) | IDO1 | |
| SCHEMBL20500390 | 0.74 | CKS1B (0.50) | JAK1JAK2TYK2JAK3CKS1B | |
| SCHEMBL28851424 | 0.74 | JAK2 (0.44) | JAK1JAK2TYK2JAK3KDM1A | |
| SCHEMBL6942861 | 0.74 | JAK2 (0.44) | JAK1JAK2TYK2JAK3KDM1A | |
| SCHEMBL6942857 | 0.74 | JAK2 (0.44) | JAK1JAK2TYK2JAK3KDM1A | |
| SCHEMBL29062245 | 0.74 | JAK2 (0.44) | JAK1JAK2TYK2JAK3KDM1A | |
| SCHEMBL28421562 | 0.74 | BTK (0.38) | JAK1JAK2TYK2JAK3KDM1A |
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-111247119-B | Amidine and guanidine derivatives, preparation method and application thereof in medicines | 四川科伦博泰生物医药股份有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-111247119-A | Amidine and guanidine derivatives, preparation method and application thereof in medicines | 四川科伦博泰生物医药股份有限公司 | 2020-06-05 | — | — | CN | disclosed |