Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.50 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | CCR3 | P51677 | 3/20 | 0.48 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.45 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.45 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.45 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.45 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.45 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.45 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18286601 | 0.92 | SMO (0.53) | SMOCHRM4DRD4HTR2ACCR3 | |
| SCHEMBL18286588 | 0.92 | SMO (0.53) | SMOCHRM4DRD4HTR2ACCR3 | |
| SCHEMBL16812733 | 0.92 | SMO (0.53) | SMOCHRM4DRD4HTR2ACCR3 | |
| SCHEMBL18286584 | 0.92 | CHRM4 (0.49) | SMOCHRM4DRD4HTR2ACCR3 | |
| SCHEMBL16812619 | 0.92 | SMO (0.48) | SMOCHRM4DRD4HTR2ACCR3 | |
| SCHEMBL16812756 | 0.91 | HPGDS (0.49) | SMOCHRM4DRD4HTR2ACCR3 | |
| SCHEMBL16812755 | 0.91 | HPGDS (0.49) | SMOCHRM4DRD4HTR2ACCR3 | |
| SCHEMBL16812615 | 0.91 | PRKAA2 (0.50) | SMOCHRM4DRD4HTR2ACCR3 | |
| SCHEMBL16812611 | 0.90 | SMO (0.71) | SMOCHRM4DRD4HTR2ACCR3 | |
| SCHEMBL18286597 | 0.90 | SMO (0.47) | SMOCHRM4DRD4HTR2ACCR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9512106-B2 | Smoothened modulators and methods of use thereof | DUKE UNIVERSITY (US) | 2016-12-06 | — | — | US | disclosed |