Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 9/20 | 0.47 |
| ▸ | CHUK | O15111 | 8/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20541577 | 0.84 | CHEK1 (0.50) | IKBKBCHUKGRM5NR4A2CHEK1 | |
| SCHEMBL988113 | 0.81 | KDM4E (0.46) | IKBKBCHUK | |
| SCHEMBL988532 | 0.80 | KEAP1 (0.56) | IKBKBCHUKGRM5KEAP1PDPK1 | |
| SCHEMBL28617336 | 0.73 | IKBKB (0.44) | IKBKBCHUKGRM5KEAP1PDPK1 | |
| SCHEMBL20542164 | 0.70 | PIM3 (0.44) | IKBKBCHUKKEAP1PDPK1NR4A2 | |
| Acetic Acid SCHEMBL27942660 | 0.69 | IKBKB (0.43) | IKBKBCHUKGRM5KEAP1TNF | |
| SCHEMBL14909105 | 0.69 | TNF (0.57) | IKBKBCHUKTNFRIPK1F7 | |
| SCHEMBL838245 | 0.68 | AHR (0.54) | IKBKBCHUKTNFRIPK1F7 | |
| SCHEMBL21315701 | 0.68 | AHR (0.48) | IKBKBCHUKGRM5TNFRIPK1 | |
| SCHEMBL12583878 | 0.67 | TSHR (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776338-A1 | INDOLE, INDAZOLE OR INDOLINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006013048-A1 | INDOLE, INDAZOLE OR INDOLINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-02-09 | — | — | WO | disclosed |