Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 8/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7798225 | 0.91 | PDE10A (0.37) | KCNH2PDE10A | |
| SCHEMBL2968640 | 0.81 | KCNH2 (0.53) | KCNH2PDE10ATLR8 | |
| SCHEMBL6501711 | 0.80 | KCNH2 (0.40) | KCNH2PDE10ATLR8 | |
| SCHEMBL2974037 | 0.78 | KCNH2 (0.43) | KCNH2PDE10A | |
| SCHEMBL7202960 | 0.76 | IRAK4 (0.41) | KCNH2PDE10A | |
| SCHEMBL11336194 | 0.74 | KCNH2 (0.61) | KCNH2TLR8LMNA | |
| SCHEMBL2015923 | 0.74 | PDE10A (0.36) | KCNH2PDE10A | |
| SCHEMBL25379810 | 0.73 | LIPG (0.40) | — | |
| SCHEMBL25378990 | 0.72 | HTR1A (0.40) | KCNH2 | |
| SCHEMBL8330516 | 0.72 | NOS2 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828737-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-03-18 | — | — | EP | disclosed |
| US-5710159-A | IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-20 | — | — | US | disclosed |
| WO-1996037492-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-11-28 | — | — | WO | disclosed |