Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.51 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.45 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.45 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7360342 | 0.81 | BCAT2 (0.51) | BCAT2CSNK1A1TYRO3DYRK1BALOX5AP | |
| SCHEMBL3529606 | 0.81 | BCAT2 (0.51) | BCAT2CSNK1A1TYRO3DYRK1BALOX5AP | |
| SCHEMBL1965782 | 0.78 | BCAT2 (0.71) | BCAT2CSNK1A1TYRO3DYRK1BALOX5AP | |
| SCHEMBL29974939 | 0.77 | BCAT2 (0.51) | BCAT2CSNK1A1TYRO3DYRK1BALOX5AP | |
| SCHEMBL25093211 | 0.77 | BCAT2 (0.47) | BCAT2CSNK1A1TYRO3DYRK1BALOX5AP | |
| SCHEMBL30810258 | 0.77 | KMT2A (0.54) | BCAT2CSNK1A1TYRO3DYRK1BALOX5AP | |
| SCHEMBL17894102 | 0.77 | KMT2A (0.54) | BCAT2CSNK1A1TYRO3DYRK1BALOX5AP | |
| SCHEMBL1967583 | 0.77 | PARP1 (0.52) | BCAT2CSNK1A1TYRO3DYRK1BALOX5AP | |
| SCHEMBL30839549 | 0.77 | PARP1 (0.48) | BCAT2CSNK1A1TYRO3DYRK1BALOX5AP | |
| SCHEMBL997865 | 0.76 | GRM5 (0.64) | BCAT2CSNK1A1TYRO3DYRK1BMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104718191-B | Ethynyl derivatives serving as MGLUR5 receptor activity modulators | 霍夫曼-拉罗奇有限公司 | 2016-06-29 | — | — | CN | disclosed |
| CN-103582629-A | 5-(phenyl/pyridinyl-ethinyl)-2-pyridine/2-pyrimidine-carborxamides as MGLUR5 modulators | HOFFMANN LA ROCHE | 2014-02-12 | — | — | CN | disclosed |
| EP-2334652-A1 | 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS | Boehringer Ingelheim International GmbH (DE) | 2011-06-22 | — | — | EP | disclosed |
| CN-101180299-B | Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists | HOFFMANN LA ROCHE | 2010-12-15 | — | — | CN | disclosed |
| CN-101180299-A | Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists | HOFFMANN LA ROCHE (CH) | 2008-05-14 | — | — | CN | disclosed |