Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | UBE2N | P61088 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | AKT2 | P31751 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL18733990 | 0.83 | NPC1 (0.32) | NQO1NPC1GRM5 | |
| SCHEMBL20518400 | 0.79 | NPC1 (0.40) | NQO1NPC1GRM5PDE3BPDE3A | |
| SCHEMBL19217077 | 0.73 | MAOA (0.41) | MAPK1MEN1TP53MAPTTSHR | |
| SCHEMBL30853023 | 0.73 | MEN1 (0.38) | MAPK1MEN1TP53MAPTKMT2A | |
| SCHEMBL24752323 | 0.73 | MEN1 (0.38) | MAPK1MEN1TP53MAPTKMT2A | |
| SCHEMBL20281108 | 0.71 | DRD2 (0.37) | MAPK1MEN1TP53MAPTTSHR | |
| SCHEMBL18322008 | 0.70 | NPC1 (0.36) | NPC1 | |
| Hydrochloric Acid SCHEMBL18322168 | 0.69 | NPC1 (0.35) | NPC1 | |
| SCHEMBL23508659 | 0.68 | EPHX2 (0.44) | KMT2A | |
| SCHEMBL171403 | 0.66 | MAOA (0.43) | MAPK1TSHRIKBKBRAF1RPS6KB1 |
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-2018109642-A1 | N-ARYL PYRAZOLES AS NRF2 REGULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-06-21 | — | — | WO | disclosed |