Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 5/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.30 |
| ▸ | FABP5 | Q01469 | 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 | |
|---|---|---|---|---|
| SCHEMBL578039 | 0.75 | IDH1 (0.39) | IDH1TGFBR1 | |
| SCHEMBL577741 | 0.74 | SYK (0.38) | IDH1TGFBR1CYP19A1 | |
| SCHEMBL578066 | 0.71 | IDH1 (0.34) | IDH1TGFBR1 | |
| SCHEMBL586016 | 0.69 | TGFBR1 (0.33) | IDH1TGFBR1CYP19A1 | |
| SCHEMBL577983 | 0.69 | PDE10A (0.38) | IDH1TGFBR1 | |
| SCHEMBL578111 | 0.68 | IDH1 (0.46) | IDH1TGFBR1FABP4FABP5 | |
| SCHEMBL577362 | 0.68 | NPC1 (0.37) | IDH1TGFBR1 | |
| SCHEMBL533593 | 0.67 | PDPK1 (0.39) | — | |
| SCHEMBL577591 | 0.67 | IDH1 (0.33) | IDH1TGFBR1 | |
| SCHEMBL533201 | 0.67 | IDH1 (0.36) | IDH1 |
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-2012109398-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS | IDENIX PHARMACEUTICALS, INC. (US) | 2012-08-16 | — | — | WO | disclosed |