Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | CCNC | P24863 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | GAK | O14976 | 2/20 | 0.43 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.43 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.43 |
| ▸ | NLK | Q9UBE8 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ESRRB | O95718 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10316081 | 0.87 | GAK (0.43) | PARP1CCNCCDK8GAKRIPK2 | |
| SCHEMBL14730866 | 0.84 | CCNC (0.46) | PARP1CCNCCDK8GAKRIPK2 | |
| SCHEMBL26325454 | 0.80 | NOS3 (0.44) | CDK8MTNR1AMTNR1BLOXL2ROCK2 | |
| SCHEMBL12031050 | 0.80 | HTR1A (0.56) | PARP1MTNR1AMTNR1BLOXL2ROCK2 | |
| SCHEMBL16549305 | 0.79 | PARP1 (0.45) | PARP1MTNR1AMTNR1BLOXL2ROCK2 | |
| SCHEMBL11893054 | 0.79 | NR4A2 (0.56) | PARP1CCNCCDK8GAKRIPK2 | |
| SCHEMBL14550229 | 0.79 | CDK8 (0.45) | PARP1CCNCCDK8GAKRIPK2 | |
| SCHEMBL4075615 | 0.79 | ESR1 (0.54) | PARP1RIPK2MTNR1AMTNR1BLOXL2 | |
| SCHEMBL20392611 | 0.79 | SLC22A12 (0.53) | CCNCCDK8GAKRIPK2COQ8A | |
| SCHEMBL9623862 | 0.76 | MTNR1A (0.39) | MTNR1AMTNR1BLOXL2ROCK2HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2566477-B1 | AMINO-QUINOLINES AS KINASE INHIBITORS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2015-09-02 | — | — | EP | disclosed |