Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24923802 | 0.84 | TSHR (0.57) | GAAPKMCYP2C19SMN1; SMN2TDP1 | |
| SCHEMBL21057183 | 0.81 | SMN1; SMN2 (0.56) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL21057179 | 0.81 | SMN1; SMN2 (0.56) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL11517754 | 0.80 | SMN1; SMN2 (0.62) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL11602795 | 0.77 | CYP1A2 (0.50) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL11183708 | 0.76 | SMN1; SMN2 (0.58) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL2044506 | 0.76 | ALDH1A1 (0.54) | SMN1; SMN2ESR2PDE4APDE4BPDE4C | |
| SCHEMBL2044509 | 0.76 | ALDH1A1 (0.54) | SMN1; SMN2ESR2PDE4APDE4BPDE4C | |
| SCHEMBL27471526 | 0.76 | ALDH1A1 (0.54) | SMN1; SMN2ESR2PDE4APDE4BPDE4C | |
| SCHEMBL4262556 | 0.74 | CYP1A2 (0.77) | CYP1A2GAACYP2C9PKMCYP2C19 |
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-2341044-A1 | CYCLOALKYLAMINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2011-07-06 | — | — | EP | disclosed |