Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 3/20 | 0.32 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | C1S | P09871 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL577653 | 0.88 | KDM4E (0.37) | IDH1KDM4ESMN1; SMN2ALDH1A1GFER | |
| SCHEMBL13147664 | 0.86 | ALDH1A1 (0.44) | IDH1KDM4ESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL13147662 | 0.85 | IDH1 (0.36) | IDH1KDM4ESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL13147751 | 0.83 | IDH1 (0.36) | IDH1PTGESIRAK4HSP90AA1HSP90AB1 | |
| SCHEMBL13147748 | 0.83 | IDH1 (0.36) | IDH1ALDH1A1NPC1MAPTGFER | |
| SCHEMBL13147740 | 0.83 | IDH1 (0.41) | IDH1KDM4EALDH1A1HSD17B10PTGES | |
| SCHEMBL13147672 | 0.82 | SRC (0.38) | IDH1ALDH1A1NPC1MAPTGFER | |
| SCHEMBL13147660 | 0.81 | IDH1 (0.39) | IDH1KDM4ESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL13147680 | 0.81 | PTGS2 (0.40) | IDH1SMN1; SMN2MAPTPTGS2HSP90AA1 | |
| SCHEMBL577580 | 0.81 | IDH1 (0.32) | IDH1KDM4ESMN1; SMN2TGFBR1 |
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-2010118078-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |