Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693015 | 0.84 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2 | |
| SCHEMBL12465315 | 0.83 | MAPT (0.42) | SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2 | |
| SCHEMBL599767 | 0.81 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2 | |
| SCHEMBL31059813 | 0.81 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2 | |
| SCHEMBL25751125 | 0.81 | CYP2C9 (0.49) | SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2 | |
| SCHEMBL1355001 | 0.79 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3MEN1CYP2C9 | |
| SCHEMBL25968785 | 0.76 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2 | |
| SCHEMBL23008544 | 0.72 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2 | |
| SCHEMBL25264559 | 0.72 | ALDH1A1 (0.50) | SLC6A2SLC6A3MEN1CYP1A2CYP2D6 | |
| SCHEMBL21702403 | 0.71 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3644991-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | Merck Sharp & Dohme Corp. (US) | 2020-05-06 | — | — | EP | disclosed |
| WO-2019005588-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | WO | disclosed |