Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.45 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | TNK1 | Q13470 | 2/20 | 0.43 |
| ▸ | PANK3 | Q9H999 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SPR | P35270 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 6/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 4/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 4/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.40 |
| ▸ | PREP | P48147 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26124147 | 0.80 | CHRM1 (0.52) | GPR119GRM4CHRM1PARP1TNK1 | |
| SCHEMBL18701863 | 0.77 | CHRM1 (0.52) | GPR119GRM4CHRM1PANK3SPR | |
| SCHEMBL31289277 | 0.76 | GPR119 (0.56) | GPR119PANK3KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL12683422 | 0.75 | KDM4E (0.54) | GPR119GRM4CHRM1PANK3KDM4E | |
| SCHEMBL16718810 | 0.75 | KDM4E (0.50) | GPR119GRM4PANK3KDM4EALDH1A1 | |
| SCHEMBL29940306 | 0.75 | KDM4E (0.50) | GPR119GRM4PANK3KDM4EALDH1A1 | |
| SCHEMBL16478649 | 0.75 | KDM4E (0.54) | GPR119GRM4CHRM1PANK3KDM4E | |
| SCHEMBL20355749 | 0.74 | PANK3 (0.50) | GPR119PANK3KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL16627291 | 0.74 | HRH3 (0.61) | GPR119PARP1PANK3KDM4EALDH1A1 | |
| SCHEMBL30546437 | 0.74 | CHRNB2 (0.48) | GPR119PARP1PANK3KDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021086077-A1 | ISOQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION, COMPRISING SAME AS ACTIVE INGREDIENT, FOR PREVENTION OR TREATMENT OF POLY(ADP-RIBOSE)POLYMERASE-1 (PARP-1)-ASSOCIATED DISEASE | 충남대학교 산학협력단 | 2021-05-06 | — | — | WO | disclosed |