Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 6/20 | 0.38 |
| ▸ | FAAH | O00519 | 3/20 | 0.35 |
| ▸ | F10 | P00742 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7847874 | 0.89 | ESR1 (0.38) | ESR1ESR2MCHR1FAAHF10 | |
| SCHEMBL7227822 | 0.84 | MCHR1 (0.55) | ESR1ESR2MCHR1ACHE | |
| SCHEMBL2310767 | 0.78 | ESR1 (0.49) | ESR1ESR2 | |
| SCHEMBL2310177 | 0.76 | ESR2 (0.52) | ESR1ESR2 | |
| SCHEMBL7847330 | 0.72 | GPR119 (0.33) | — | |
| SCHEMBL7847331 | 0.72 | GPR119 (0.33) | — | |
| SCHEMBL7838268 | 0.72 | ACHE (0.39) | ESR1ESR2DRD2ACHE | |
| SCHEMBL7227360 | 0.72 | MCHR1 (0.59) | MCHR1ACHE | |
| SCHEMBL15828479 | 0.68 | ESR1 (0.55) | ESR1ESR2 | |
| SCHEMBL5334383 | 0.68 | ESR2 (0.55) | ESR1ESR2 |
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-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | disclosed |