Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.52 |
| ▸ | SSTR5 | P35346 | 4/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | RET | P07949 | 3/20 | 0.44 |
| ▸ | HPGDS | O60760 | 4/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | CKS1B | P61024 | 1/20 | 0.43 |
| ▸ | SKP1 | P63208 | 1/20 | 0.43 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16811791 | 0.94 | SMO (0.54) | SMOSSTR5RETHPGDSMCHR1 | |
| SCHEMBL16811813 | 0.93 | SMO (0.56) | SMOSSTR5DRD4RETHPGDS | |
| SCHEMBL18286499 | 0.93 | SMO (0.54) | SMOSSTR5DRD4RETHPGDS | |
| SCHEMBL18286600 | 0.92 | SMO (0.50) | SMOSSTR5DRD4RETHPGDS | |
| SCHEMBL18286476 | 0.91 | SMO (0.52) | SMOSSTR5DRD4RETHPGDS | |
| SCHEMBL16811785 | 0.90 | SMO (0.67) | SMOSSTR5DRD4RETHPGDS | |
| SCHEMBL16812723 | 0.90 | SMO (0.49) | SMOSSTR5RETHPGDSMCHR1 | |
| SCHEMBL18286503 | 0.90 | SMO (0.57) | SMOSSTR5DRD4HPGDSMCHR1 | |
| SCHEMBL18286477 | 0.89 | SMO (0.60) | SMOSSTR5DRD4MCHR1 | |
| SCHEMBL16811948 | 0.89 | SMO (0.55) | SMOSSTR5DRD4HPGDSMCHR1 |
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 |