Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 4/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | CKS1B | P61024 | 1/20 | 0.46 |
| ▸ | SKP1 | P63208 | 1/20 | 0.46 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | RET | P07949 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | SSTR5 | P35346 | 2/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16811792 | 0.94 | SMO (0.52) | SMODRD4AKT1CKS1BSKP1 | |
| SCHEMBL16811853 | 0.93 | SMO (0.53) | SMODRD4AKT1CKS1BSKP1 | |
| SCHEMBL18286470 | 0.93 | SMO (0.49) | SMODRD4AKT1CKS1BSKP1 | |
| SCHEMBL18286514 | 0.93 | SMO (0.49) | SMODRD4AKT1CKS1BSKP1 | |
| SCHEMBL18286598 | 0.92 | SMO (0.51) | SMODRD4AKT1CKS1BSKP1 | |
| SCHEMBL16811840 | 0.91 | SMO (0.62) | SMODRD4AKT1CKS1BSKP1 | |
| SCHEMBL16812725 | 0.90 | SMO (0.46) | SMODRD4AKT1CKS1BSKP1 | |
| SCHEMBL18286468 | 0.89 | SMO (0.54) | SMODRD4MCHR1CD274MEN1 | |
| SCHEMBL16811954 | 0.88 | SMO (0.53) | SMODRD4MCHR1CD274MEN1 | |
| SCHEMBL16811854 | 0.88 | SMO (0.51) | SMODRD4AKT1CKS1BSKP1 |
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 |