Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 6/20 | 0.38 |
| ▸ | NOS3 | P29474 | 5/20 | 0.38 |
| ▸ | NOS1 | P29475 | 5/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | LPL | P06858 | 1/20 | 0.30 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16795137 | 0.78 | ACHE (0.34) | ALDH1A1MAP4K4TSHR | |
| SCHEMBL16795390 | 0.75 | NOS2 (0.53) | KDM4EALDH1A1NOS2NOS3NOS1 | |
| SCHEMBL18953910 | 0.71 | LPL (0.51) | LTA4HLPLLIPG | |
| SCHEMBL16795129 | 0.69 | MAOB (0.36) | KDM4EALDH1A1KMT2A | |
| SCHEMBL16795410 | 0.68 | L3MBTL3 (0.42) | KDM4EALDH1A1TSHRKMT2A | |
| SCHEMBL14680428 | 0.68 | ALDH1A1 (0.55) | KDM4EALDH1A1NOS2NOS3NOS1 | |
| SCHEMBL16795329 | 0.68 | ALDH1A1 (0.43) | KDM4EALDH1A1TSHRLPLLIPG | |
| SCHEMBL16426120 | 0.68 | LPL (0.44) | LPLLIPG | |
| SCHEMBL28628663 | 0.68 | LPL (0.44) | LPLLIPG | |
| SCHEMBL16795229 | 0.67 | CXCR3 (0.36) | KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015086693-A1 | PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS | ALMIRALL, S.A. (ES) | 2015-06-18 | — | — | WO | disclosed |