Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | DRD4 | P21917 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.49 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.49 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.49 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.49 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.49 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.49 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16811803 | 0.94 | SMO (0.62) | SMOKMT2AMEN1DRD4SMN1; SMN2 | |
| SCHEMBL18286494 | 0.93 | SMO (0.57) | SMOKMT2AMEN1DRD4TP53 | |
| SCHEMBL18286515 | 0.92 | SMO (0.62) | SMOKMT2AMEN1DRD4TP53 | |
| SCHEMBL16811949 | 0.92 | SMO (0.55) | SMOKMT2AMEN1DRD4SMN1; SMN2 | |
| SCHEMBL16811815 | 0.91 | SMO (0.65) | SMOKMT2AMEN1DRD4PRKAB2 | |
| SCHEMBL16811945 | 0.91 | SMO (0.55) | SMOKMT2AMEN1DRD4SMN1; SMN2 | |
| SCHEMBL18286477 | 0.91 | SMO (0.60) | SMOKMT2AMEN1DRD4TP53 | |
| SCHEMBL16811958 | 0.91 | SMO (0.54) | SMOKMT2AMEN1DRD4SMN1; SMN2 | |
| SCHEMBL16811957 | 0.91 | SMO (0.54) | SMOKMT2AMEN1DRD4SMN1; SMN2 | |
| SCHEMBL16811989 | 0.90 | SMO (0.78) | SMOKMT2AMEN1DRD4SMN1; SMN2 |
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 |