Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | GRAMD1A | Q96CP6 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL20665903 | 0.91 | ADORA1 (0.61) | ADORA1MAPTKDM4ENR1H2MKNK1 | |
| SCHEMBL624102 | 0.89 | ADORA1 (0.49) | ADORA1MAPTKDM4ENR1H2MKNK1 | |
| SCHEMBL9139042 | 0.87 | ADORA1 (0.47) | ADORA1MAPTKDM4ENR1H2ESR2 | |
| SCHEMBL20665856 | 0.86 | ADORA1 (0.53) | ADORA1MAPTKDM4ENR1H2MKNK1 | |
| SCHEMBL623383 | 0.84 | MAPT (0.52) | ADORA1MAPTKDM4EALDH1A1GAA | |
| SCHEMBL9425818 | 0.84 | ALDH1A1 (0.47) | MAPTKDM4EALDH1A1GAAPOLB | |
| SCHEMBL9138670 | 0.82 | ADORA1 (0.46) | ADORA1MAPTKDM4ENR1H2ESR2 | |
| SCHEMBL7794277 | 0.79 | ADORA1 (0.55) | ADORA1MAPTKDM4ENR1H2ESR2 | |
| SCHEMBL7796803 | 0.79 | ADORA1 (0.55) | ADORA1MAPTKDM4ENR1H2MKNK1 | |
| SCHEMBL22392265 | 0.78 | ALDH1A1 (0.46) | ADORA1MAPTKDM4EALDH1A1GAA |
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-2012020227-A1 | TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) | 2012-02-16 | — | — | WO | disclosed |