Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KHK | P50053 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 3/20 | 0.35 |
| ▸ | JAK3 | P52333 | 3/20 | 0.35 |
| ▸ | JAK1 | P23458 | 2/20 | 0.35 |
| ▸ | TYK2 | P29597 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31659591 | 1.00 | LRRK2 (0.38) | LRRK2ALDH1A1HPGDKHKJAK2 | |
| SCHEMBL25147706 | 0.85 | ALDH1A1 (0.37) | LRRK2ALDH1A1HPGDKHKJAK2 | |
| SCHEMBL31659952 | 0.85 | ALDH1A1 (0.37) | LRRK2ALDH1A1HPGDKHKJAK2 | |
| SCHEMBL31659784 | 0.79 | SCN10A (0.36) | LRRK2JAK2JAK3JAK1TYK2 | |
| SCHEMBL25147930 | 0.79 | SCN10A (0.36) | LRRK2JAK2JAK3JAK1TYK2 | |
| SCHEMBL31659566 | 0.78 | MAPT (0.33) | ALDH1A1HPGDKDM4EPOLBKMT2A | |
| SCHEMBL31660004 | 0.78 | MAPT (0.33) | ALDH1A1HPGDKDM4EPOLBKMT2A | |
| SCHEMBL14375972 | 0.78 | ALDH1A1 (0.54) | LRRK2ALDH1A1HPGDKHKJAK2 | |
| SCHEMBL25153109 | 0.77 | MET (0.34) | POLBKMT2A | |
| SCHEMBL31418768 | 0.77 | MET (0.34) | POLBKMT2A |
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-2023064585-A1 | 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS | VANDERBILT UNIVERSITY (US) | 2023-04-20 | — | — | WO | disclosed |