Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 7/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | DRD4 | P21917 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 3/20 | 0.38 |
| ▸ | PTGIR | P43119 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8221434 | 1.00 | ADAM17 (0.53) | ADAM17CHRM4DRD2DRD4CYP2D6 | |
| SCHEMBL8273761 | 1.00 | ADAM17 (0.53) | ADAM17CHRM4DRD2DRD4CYP2D6 | |
| SCHEMBL8217095 | 0.90 | CHRM4 (0.47) | ADAM17CHRM4NPY2R | |
| SCHEMBL8273308 | 0.87 | ADAM17 (0.47) | ADAM17PTGIRKDM4EPKM | |
| SCHEMBL8213531 | 0.84 | ADAM17 (0.65) | ADAM17CHRM4DRD2DRD4CYP2D6 | |
| SCHEMBL8223154 | 0.83 | CHRM4 (0.46) | ADAM17CHRM4CYP2D6PTGIRKDM4E | |
| SCHEMBL8273580 | 0.81 | ADAM17 (0.43) | ADAM17NPY2RKDM4EALDH1A1 | |
| SCHEMBL8221362 | 0.78 | ADAM17 (0.66) | ADAM17CHRM4DRD2DRD4DRD3 | |
| SCHEMBL8221461 | 0.77 | ADAM17 (0.60) | ADAM17CHRM4DRD2DRD4CYP2D6 | |
| SCHEMBL8273353 | 0.77 | ADAM17 (0.61) | ADAM17CHRM4DRD2DRD4CYP2D6 |
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-2005121130-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS | SCHERING CORPORATION (US) | 2005-12-22 | — | — | WO | disclosed |