Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 5/20 | 0.46 |
| ▸ | SMO | Q99835 | 2/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.43 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.43 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.43 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | GPR183 | P32249 | 1/20 | 0.42 |
| ▸ | CKS1B | P61024 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16812729 | 0.93 | SMO (0.46) | CHRM4SMOPDCD1CD274DRD4 | |
| SCHEMBL18286597 | 0.93 | SMO (0.47) | CHRM4SMODRD4HTR2AAKT1 | |
| SCHEMBL18286598 | 0.93 | SMO (0.51) | CHRM4SMODRD4HTR2AAKT1 | |
| SCHEMBL18286582 | 0.92 | CHRM4 (0.50) | CHRM4SMOPDCD1CD274DRD4 | |
| SCHEMBL18286470 | 0.91 | SMO (0.49) | SMOPDCD1CD274DRD4AKT1 | |
| SCHEMBL15615245 | 0.90 | PRKAA2 (0.51) | CHRM4SMOPDCD1CD274DRD4 | |
| SCHEMBL16812616 | 0.90 | PRKAB2 (0.49) | CHRM4SMOPDCD1CD274DRD4 | |
| SCHEMBL18286588 | 0.90 | SMO (0.53) | CHRM4SMOPDCD1CD274DRD4 | |
| SCHEMBL16811788 | 0.90 | SMO (0.51) | SMOPDCD1CD274DRD4AKT1 | |
| SCHEMBL16811809 | 0.90 | SMO (0.52) | SMOPDCD1CD274DRD4AKT1 |
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 |