Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23480164 | 0.84 | DYRK1A (0.57) | ALDH1A1HSD17B10MAPK14DYRK1ARIPK1 | |
| SCHEMBL2593557 | 0.82 | VRK1 (0.44) | MAPK14DYRK1AMEN1KMT2AADORA2A | |
| SCHEMBL413869 | 0.80 | RIPK1 (0.49) | ALDH1A1HSD17B10MAPK14DYRK1ARIPK1 | |
| SCHEMBL404216 | 0.80 | RIPK1 (0.49) | ALDH1A1HSD17B10MAPK14DYRK1ARIPK1 | |
| SCHEMBL28088760 | 0.78 | DYRK1A (0.51) | ALDH1A1HSD17B10MAPK14DYRK1ARIPK1 | |
| SCHEMBL28383829 | 0.78 | ESR2 (0.41) | CYP1A2CYP3A4ALDH1A1HSD17B10CLK4 | |
| SCHEMBL27558185 | 0.77 | QPCT (0.51) | ALDH1A1HSD17B10HPGDMAPK14DYRK1A | |
| SCHEMBL27262042 | 0.77 | DYRK1A (0.58) | ALDH1A1HSD17B10MAPK14DYRK1AMEN1 | |
| SCHEMBL2586408 | 0.76 | ADORA2A (0.56) | CYP1A2CYP3A4ALDH1A1HSD17B10CLK4 | |
| SCHEMBL31214345 | 0.75 | DYRK1A (0.72) | ALDH1A1HSD17B10MAPK14DYRK1ARIPK1 |
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-2563143-A1 | SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | Merck Sharp & Dohme Corp. (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011137046-A1 | SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2011-11-03 | — | — | WO | disclosed |