Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL7984001 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2C9LMNAALDH1A1CA1 | |
| SCHEMBL430605 | 0.80 | TNF (0.50) | CYP1A2CYP2C9ALDH1A1GAATNF | |
| SCHEMBL31668867 | 0.80 | CYP1A2 (0.43) | CYP1A2CYP2C9FYNCA1CA2 | |
| SCHEMBL22834815 | 0.76 | CYP1A2 (0.47) | CYP1A2CYP2C9FYNHPGDKMT2A | |
| SCHEMBL5489472 | 0.76 | BRD4 (0.42) | BRD4ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL1203261 | 0.75 | FYN (0.52) | FYNALDH1A1HPGDKDM4E | |
| SCHEMBL11669342 | 0.75 | BRD4 (0.45) | CYP1A2CYP2C9BRD4ADORA3ADORA2A | |
| SCHEMBL22084167 | 0.74 | MAPT (0.52) | CYP1A2CYP2C9LMNAALDH1A1MAPK1 | |
| SCHEMBL31668866 | 0.74 | CYP1A2 (0.41) | CYP1A2CYP2C9LMNAALDH1A1MAPK1 | |
| SCHEMBL11669288 | 0.72 | BRD4 (0.42) | CYP1A2CYP2C9BRD4ADORA3ADORA2A |
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-2217601-A1 | IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS | Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009060197-A1 | IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) | 2009-05-14 | — | — | WO | disclosed |