Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | YTHDC1 | Q96MU7 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | YTHDF2 | Q9Y5A9 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL12615653 | 0.70 | DYRK1A (0.47) | ADORA2AADORA2BDYRK1AHTTPTK2 | |
| SCHEMBL12415 | 0.65 | — | — | |
| SCHEMBL17561029 | 0.65 | AKT2 (0.58) | ADORA2AADORA2BDYRK1ACHEK1AKT2 | |
| SCHEMBL24121978 | 0.65 | PDPK1 (0.34) | ADORA2AADORA2BDYRK1APDPK1 | |
| SCHEMBL24121974 | 0.64 | PDPK1 (0.46) | ADORA2AADORA2BDYRK1APDPK1YTHDC1 | |
| SCHEMBL24122175 | 0.64 | PDPK1 (0.33) | ADORA2AADORA2BDYRK1APDPK1 | |
| SCHEMBL31736007 | 0.62 | NPY5R (0.34) | ADORA2AADORA2BDYRK1APDPK1 | |
| SCHEMBL19941194 | 0.62 | — | — | |
| SCHEMBL4889090 | 0.61 | — | — | |
| SCHEMBL22421339 | 0.61 | — | — |
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-2021254493-A1 | CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2021-12-23 | — | — | WO | disclosed |