Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1096051 | 0.87 | KCNH2 (0.36) | MAPK1KCNH2 | |
| SCHEMBL19799174 | 0.87 | KCNH2 (0.36) | MAPK1KCNH2 | |
| SCHEMBL17966147 | 0.87 | KCNH2 (0.36) | MAPK1KCNH2 | |
| SCHEMBL10610010 | 0.87 | KCNH2 (0.36) | MAPK1KCNH2 | |
| SCHEMBL7967958 | 0.76 | — | — | |
| SCHEMBL934084 | 0.74 | MAPK1 (0.61) | MAPK1GSK3AGSK3B | |
| SCHEMBL16869394 | 0.67 | L3MBTL1 (0.32) | — | |
| SCHEMBL44881 | 0.66 | — | — | |
| SCHEMBL22311884 | 0.66 | — | — | |
| SCHEMBL12955575 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6632823-B1 | Substituted pyridine compounds useful as modulators of acetylcholine receptors | MERCK & CO., INC. | 2003-10-14 | — | — | US | disclosed |