Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL18791405 | 0.85 | NOS3 (0.32) | NOS3NOS1NOS2ALOX5APFEN1 | |
| SCHEMBL24759678 | 0.82 | NOS3 (0.39) | NOS3NOS1NOS2 | |
| SCHEMBL21076527 | 0.79 | NOS3 (0.35) | NOS3NOS1NOS2 | |
| SCHEMBL24730694 | 0.78 | NOS3 (0.37) | NOS3NOS1NOS2 | |
| SCHEMBL12749938 | 0.78 | NOS3 (0.55) | NOS3NOS1NOS2 | |
| SCHEMBL12749937 | 0.77 | NOS3 (0.36) | NOS3NOS1NOS2 | |
| SCHEMBL19508069 | 0.76 | P2RX3 (0.35) | NOS3NOS1NOS2 | |
| SCHEMBL20642318 | 0.76 | NOS3 (0.32) | NOS3NOS1NOS2 | |
| SCHEMBL22628155 | 0.76 | DHFR (0.35) | NOS3NOS1NOS2 | |
| SCHEMBL20169692 | 0.76 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7915253-B2 | 4-[2,6-Dimethyl-4-(4-trifluoromethoxy-phenyl)-piperazine-1-sulfonyl]-indan-2-carboxylic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury | KALYPSYS, INC (US) | 2011-03-29 | — | — | US | disclosed |