Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 4/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 5/20 | 0.39 |
| ▸ | SRC | P12931 | 4/20 | 0.39 |
| ▸ | ZAP70 | P43403 | 4/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13147740 | 0.88 | IDH1 (0.41) | IDH1ADORA2ACA2CHKAADORA1 | |
| SCHEMBL578287 | 0.87 | SYK (0.40) | IDH1HSP90AA1SYKSRCZAP70 | |
| SCHEMBL1489975 | 0.82 | HSP90AA1 (0.54) | HSP90AA1SYKSRCZAP70CDK2 | |
| SCHEMBL14706466 | 0.81 | IDH1 (0.37) | IDH1HSP90AA1SYKSRCZAP70 | |
| SCHEMBL1926616 | 0.81 | IDH1 (0.37) | IDH1HSP90AA1SYKSRCZAP70 | |
| SCHEMBL13147656 | 0.81 | KDM4E (0.47) | CDK2ADORA2ACYP1A2RAB9ACYP19A1 | |
| SCHEMBL13147680 | 0.81 | PTGS2 (0.40) | IDH1HSP90AA1SYKSRCZAP70 | |
| SCHEMBL13147670 | 0.80 | KDM4E (0.36) | IDH1HSP90AA1CYP1A2 | |
| SCHEMBL13147662 | 0.80 | IDH1 (0.36) | IDH1HSP90AA1RAB9A | |
| SCHEMBL13147742 | 0.80 | IDH1 (0.37) | IDH1ADORA2AADORA1 |
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 |