Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 14/20 | 0.50 |
| ▸ | CHUK | O15111 | 14/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CCNK | O75909 | 1/20 | 0.39 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3413656 | 0.92 | IKBKB (0.58) | IKBKBCHUKROCK1ALDH1A1CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL3417719 | 0.92 | IKBKB (0.50) | IKBKBCHUKROCK1ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL3414610 | 0.91 | IKBKB (0.48) | IKBKBCHUKROCK1ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL3413533 | 0.91 | IKBKB (0.48) | IKBKBCHUKROCK1ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL3418097 | 0.88 | IKBKB (0.56) | IKBKBCHUKROCK1ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL3413647 | 0.88 | IKBKB (0.53) | IKBKBCHUKROCK1ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL3415316 | 0.86 | IKBKB (0.47) | IKBKBCHUKROCK1ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL3416980 | 0.86 | IKBKB (0.48) | IKBKBCHUKROCK1ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL3412002 | 0.86 | IKBKB (0.49) | IKBKBCHUKROCK1ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL3415936 | 0.85 | IKBKB (0.51) | IKBKBCHUKROCK1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2069341-B1 | PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS | GLAXO GROUP LTD (GB) | 2010-12-29 | — | — | EP | disclosed |