Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | USP2 | O75604 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15637546 | 0.85 | ADORA2A (0.57) | ADORA2ADYRK1AMAP4K4PFKFB3CLK4 | |
| SCHEMBL1799071 | 0.81 | KDM4E (0.49) | ADORA2ADYRK1AMAP4K4PFKFB3CLK4 | |
| SCHEMBL31214345 | 0.81 | DYRK1A (0.72) | DYRK1APFKFB3ALDH1A1HSD17B10RIPK1 | |
| SCHEMBL2593553 | 0.81 | MAP4K4 (0.55) | ADORA2ADYRK1AMAP4K4RIPK1 | |
| SCHEMBL6032917 | 0.80 | DYRK1A (0.62) | DYRK1AMAP4K4PFKFB3ALDH1A1HSD17B10 | |
| SCHEMBL22250359 | 0.79 | ADORA2A (0.62) | ADORA2ADYRK1AMAP4K4PFKFB3CLK4 | |
| SCHEMBL24155567 | 0.78 | DYRK1A (0.55) | DYRK1AMAP4K4ALDH1A1HSD17B10RIPK1 | |
| SCHEMBL20600542 | 0.77 | ADORA2A (0.48) | ADORA2ADYRK1AMAP4K4PFKFB3 | |
| SCHEMBL22251259 | 0.77 | ADORA2A (0.75) | ADORA2ADYRK1APFKFB3CYP1A2CYP3A4 | |
| SCHEMBL2586410 | 0.76 | CYP1A2 (0.49) | ADORA2ADYRK1ACLK4CYP1A2CYP3A4 |
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 |