Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 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 | |
|---|---|---|---|---|
| SCHEMBL29182722 | 1.00 | PARP1 (0.40) | PARP1MAPK1GPR119TSHRLMNA | |
| SCHEMBL28700616 | 0.86 | PARP1 (0.40) | PARP1MAPK1GPR119TSHRLMNA | |
| SCHEMBL29773951 | 0.85 | GPR119 (0.45) | PARP1MAPK1GPR119TSHRLMNA | |
| SCHEMBL27868891 | 0.85 | GPR119 (0.45) | PARP1MAPK1GPR119TSHRLMNA | |
| SCHEMBL30552413 | 0.84 | GPR119 (0.42) | MAPK1GPR119TSHRLMNAALDH1A1 | |
| SCHEMBL31187123 | 0.84 | GPR119 (0.42) | MAPK1GPR119TSHRLMNAALDH1A1 | |
| SCHEMBL31590042 | 0.82 | ALDH1A1 (0.44) | GPR119TSHRLMNAALDH1A1POLB | |
| SCHEMBL31105123 | 0.82 | PARP1 (0.40) | PARP1TSHRLMNAALDH1A1MEN1 | |
| SCHEMBL30931067 | 0.81 | PARP1 (0.40) | PARP1TSHRLMNAALDH1A1MAPT | |
| SCHEMBL28505946 | 0.81 | POLB (0.40) | PARP1MAPK1GPR119POLB |
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-117836299-A | Novel bifunctional heterocyclic compounds with Bruton tyrosine kinase decomposition via ubiquitin proteasome pathway and uses thereof | 韩国化学研究院 | 2024-04-05 | — | — | CN | disclosed |
| CN-115703765-A | Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-02-17 | — | — | CN | disclosed |