Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.57 |
| ▸ | PDCD1 | Q15116 | 5/20 | 0.55 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.55 |
| ▸ | DRD4 | P21917 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.47 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.47 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.47 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.47 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.47 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.47 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.47 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16811838 | 0.94 | SMO (0.59) | SMOPDCD1CD274DRD4KMT2A | |
| SCHEMBL18286502 | 0.92 | SMO (0.59) | SMOCD274DRD4KMT2AMEN1 | |
| SCHEMBL18286512 | 0.92 | SMO (0.53) | SMOPDCD1CD274DRD4KMT2A | |
| SCHEMBL16811814 | 0.92 | SMO (0.62) | SMOPDCD1CD274DRD4KMT2A | |
| SCHEMBL16811946 | 0.91 | DRD4 (0.53) | SMOPDCD1CD274DRD4KMT2A | |
| SCHEMBL18286501 | 0.91 | SMO (0.57) | SMODRD4KMT2AMEN1POLB | |
| SCHEMBL16811947 | 0.91 | DRD4 (0.52) | SMOPDCD1CD274DRD4KMT2A | |
| SCHEMBL16811962 | 0.90 | DRD4 (0.51) | SMOPDCD1CD274DRD4KMT2A | |
| SCHEMBL16811961 | 0.90 | DRD4 (0.51) | SMOPDCD1CD274DRD4KMT2A | |
| SCHEMBL16811993 | 0.89 | SMO (0.76) | SMOPDCD1CD274DRD4KMT2A |
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 |