Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.39 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19520434 | 0.88 | PARP1 (0.44) | PARP1DYRK1BROCK2MAP2K1CLK4 | |
| SCHEMBL396726 | 0.84 | BCAT2 (0.47) | GRM5DYRK1BCSNK1A1TYRO3SCN9A | |
| SCHEMBL2330384 | 0.76 | KMT2A (0.50) | PARP1GRM5DYRK1BCSNK1A1TYRO3 | |
| SCHEMBL15548944 | 0.76 | BCAT2 (0.61) | PARP1GRM5DYRK1BCSNK1A1TYRO3 | |
| SCHEMBL28677174 | 0.75 | PARP1 (0.45) | PARP1GRM5DYRK1BCSNK1A1TYRO3 | |
| SCHEMBL6616370 | 0.74 | KDM4E (0.53) | PARP1GRM5DYRK1BCSNK1A1TYRO3 | |
| SCHEMBL28700871 | 0.73 | KDM4E (0.48) | PARP1GRM5DYRK1BADORA2ACSNK1A1 | |
| SCHEMBL4782635 | 0.73 | MAPT (0.55) | PARP1GRM5DYRK1BCSNK1A1TYRO3 | |
| SCHEMBL28035470 | 0.73 | CSNK1A1 (0.49) | PARP1GRM5DYRK1BCSNK1A1TYRO3 | |
| SCHEMBL28062810 | 0.73 | SMN1; SMN2 (0.55) | PARP1DYRK1BCSNK1A1TYRO3KDM4E |
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-2356094-A1 | NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-08-17 | — | — | EP | claimed |
| EP-2356094-A1 | NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-08-17 | — | — | EP | disclosed |