Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.42 |
| ▸ | JAK1 | P23458 | 2/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 12/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 9/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24574674 | 1.00 | AURKA (0.42) | AURKAJAK1PIK3CDPIK3CALMNA | |
| SCHEMBL23499425 | 0.84 | JAK1 (0.42) | AURKAJAK1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL23499429 | 0.84 | JAK1 (0.42) | AURKAJAK1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL23499427 | 0.84 | JAK1 (0.42) | AURKAJAK1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL31119103 | 0.84 | ATXN2 (0.45) | AURKAJAK1PIK3CDPIK3CAJAK2 | |
| SCHEMBL24575288 | 0.84 | ATXN2 (0.45) | AURKAJAK1PIK3CDPIK3CAJAK2 | |
| SCHEMBL23499494 | 0.83 | JAK1 (0.38) | AURKAJAK1LMNAALDH1A1JAK2 | |
| SCHEMBL23499495 | 0.83 | JAK1 (0.38) | AURKAJAK1LMNAALDH1A1JAK2 | |
| SCHEMBL23499496 | 0.83 | JAK1 (0.38) | AURKAJAK1LMNAALDH1A1JAK2 | |
| SCHEMBL23933533 | 0.82 | JAK1 (0.41) | AURKAJAK1PIK3CDPIK3CAPIK3CB |
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-118541365-A | Antagonists of muscarinic acetylcholine receptor M4 | 范德堡大学 | 2024-08-23 | — | — | CN | disclosed |
| WO-2022216655-A1 | N-(6-((OCTAHYDROCYCLOPENTA[C]PYRROL-5-YI)AMINO)PYRIDAZIN-3-YL)PHENYL)CARBOXAMIDE AND (6- ((OCTAHYDROCYCLOPENTA[C]PYRROL-5-YL)AMINO)PYRIDAZIN-3-YL)BENZAMIDE DERIVATIVES AS MACHR M4 ANTAGONISTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | VANDERBILT UNIVERSITY (US) | 2022-10-13 | — | — | WO | disclosed |
| WO-2022212819-A1 | INDAZOLE DERIVATIVES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2022-10-06 | — | — | WO | disclosed |