Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 6/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 3/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | LIPE | Q05469 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8311399 | 0.68 | PPARA (0.37) | CYP2C19CES1PPARGPPARA | |
| SCHEMBL8314036 | 0.68 | PPARA (0.36) | CYP2C19CES1HDAC4HDAC6HDAC3 | |
| SCHEMBL8232709 | 0.67 | PPARA (0.47) | CYP2C19PPARGPPARA | |
| SCHEMBL8922764 | 0.67 | PPARG (0.42) | CYP2C19CES1HDAC4HDAC6HDAC3 | |
| SCHEMBL1713309 | 0.67 | CES1 (0.44) | CYP2C19CES1POLB | |
| SCHEMBL9171687 | 0.66 | CYP2C19 (0.50) | CYP2C19PPARGPPARARIPK1 | |
| SCHEMBL4103416 | 0.65 | PPARG (0.40) | CYP2C19CES1PPARGPPARARIPK1 | |
| SCHEMBL4103411 | 0.65 | PPARG (0.40) | CYP2C19CES1PPARGPPARARIPK1 | |
| SCHEMBL9301235 | 0.64 | CYP2C19 (0.47) | CYP2C19PPARGPPARARIPK1 | |
| SCHEMBL4099299 | 0.64 | CYP2C19 (0.47) | CYP2C19PPARGPPARAPOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0724601-A4 | S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS | NEORX CORP (US) | 1999-02-03 | — | — | EP | disclosed |
| US-5684137-A | TECHNETIUM AND RHENIUM LABELS FOR LIGANDS AND PROTEINS | NEORX CORPORATION (US) | 1997-11-04 | — | — | US | disclosed |
| EP-0724601-A1 | S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS | NEORX CORPORATION (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995005398-A1 | S3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS | NEORX CORPORATION (US) | 1995-02-23 | — | — | WO | disclosed |