Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR10 | P46092 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 10/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27865642 | 0.77 | SLC9A1 (0.37) | CCR10ALDH1A1GRM2SLC6A2SLC6A4 | |
| SCHEMBL31596139 | 0.76 | KCNMA1 (0.35) | CCR10KDM4EALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL23139045 | 0.76 | — | — | |
| SCHEMBL16548434 | 0.74 | MAPK1 (0.53) | ALDH1A1 | |
| SCHEMBL29530590 | 0.74 | CSNK2A2 (0.33) | CCR10KDM4ESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5366387 | 0.73 | KDM4E (0.46) | KDM4EALDH1A1 | |
| SCHEMBL18250248 | 0.73 | MAPK1 (0.36) | ALDH1A1 | |
| SCHEMBL20197195 | 0.73 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL16544521 | 0.71 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL16815514 | 0.70 | MAPK1 (0.34) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019000237-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | WO | claimed |
| WO-2019000237-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | WO | disclosed |