Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.33 |
| ▸ | BRAF | P15056 | 2/20 | 0.33 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 4/20 | 0.31 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25406827 | 1.00 | ADORA2A (0.37) | ADORA2AADORA1IRAK4BRAFMAPK3 | |
| SCHEMBL30884643 | 0.83 | ALDH1A1 (0.46) | IRAK4BRAFMAPK3MAPK1ALDH1A1 | |
| SCHEMBL29195175 | 0.83 | ALDH1A1 (0.46) | IRAK4BRAFMAPK3MAPK1ALDH1A1 | |
| SCHEMBL30166560 | 0.72 | DGAT1 (0.33) | MAPT | |
| SCHEMBL25407285 | 0.72 | DGAT1 (0.33) | MAPT | |
| SCHEMBL23753887 | 0.71 | MTOR (0.43) | ADORA2AIRAK4MAPK1 | |
| SCHEMBL2190600 | 0.69 | CYP2C9 (0.42) | ADORA2AADORA1IRAK4ALDH1A1KDM4E | |
| SCHEMBL27754726 | 0.69 | HSP90AA1 (0.42) | IRAK4SCN9AKDM4EKCNH2 | |
| SCHEMBL27615816 | 0.68 | CYP1A2 (0.51) | MAPK1ALDH1A1SCN9AKCNH2MAPK14 | |
| SCHEMBL30128655 | 0.67 | MAPT (0.56) | ALDH1A1SCN9AKDM4EMAPTKCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118871433-A | Nitrogen-containing heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-10-29 | — | — | CN | disclosed |
| CN-117865939-A | Aminopyrimidine derivative inhibitor, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-04-12 | — | — | CN | disclosed |
| WO-2023174406-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2023-09-21 | — | — | WO | disclosed |