Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.57 |
| ▸ | DRD4 | P21917 | 2/20 | 0.52 |
| ▸ | SSTR5 | P35346 | 5/20 | 0.49 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 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 | |
|---|---|---|---|---|
| SCHEMBL16811783 | 0.94 | SMO (0.59) | SMODRD4SSTR5SSTR1HRH1 | |
| SCHEMBL18286471 | 0.93 | SMO (0.60) | SMODRD4SSTR5SSTR1HRH1 | |
| SCHEMBL16811949 | 0.93 | SMO (0.55) | SMODRD4SSTR5SSTR1HRH1 | |
| SCHEMBL16811945 | 0.92 | SMO (0.55) | SMODRD4SSTR5SSTR1HRH1 | |
| SCHEMBL16811848 | 0.92 | SMO (0.61) | SMODRD4SSTR5SSTR1HRH1 | |
| SCHEMBL18286469 | 0.92 | SMO (0.58) | SMODRD4SSTR5MEN1KMT2A | |
| SCHEMBL16811957 | 0.91 | SMO (0.54) | SMODRD4SSTR5SSTR1HRH1 | |
| SCHEMBL16811958 | 0.91 | SMO (0.54) | SMODRD4SSTR5SSTR1HRH1 | |
| SCHEMBL18286503 | 0.91 | SMO (0.57) | SMODRD4SSTR5MEN1KMT2A | |
| SCHEMBL16811970 | 0.90 | DRD4 (0.52) | SMODRD4SSTR5SSTR1HRH1 |
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 |