Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP24A1 | Q07973 | 6/20 | 0.50 |
| ▸ | CYP27A1 | Q02318 | 3/20 | 0.50 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12698728 | 0.92 | CYP24A1 (0.46) | CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1 | |
| SCHEMBL903651 | 0.91 | CYP26A1 (0.54) | CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1 | |
| SCHEMBL5917029 | 0.89 | CYP24A1 (0.50) | CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1 | |
| SCHEMBL5239102 | 0.82 | EGFR (0.45) | CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1 | |
| SCHEMBL6669546 | 0.82 | CYP24A1 (0.53) | CYP24A1CYP27A1CYP26A1CYP19A1DRD2 | |
| SCHEMBL22628601 | 0.82 | CYP24A1 (0.62) | CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1 | |
| SCHEMBL31053075 | 0.82 | CYP24A1 (0.62) | CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1 | |
| SCHEMBL15804657 | 0.81 | CYP24A1 (0.47) | CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1 | |
| SCHEMBL15874767 | 0.80 | CYP24A1 (0.60) | CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1 | |
| SCHEMBL4366122 | 0.80 | CYP24A1 (0.60) | CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012040924-A1 | FUSED TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012041227-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |