Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 4/20 | 0.49 |
| ▸ | CHUK | O15111 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CCNK | O75909 | 1/20 | 0.40 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3413062 | 0.94 | IKBKB (0.48) | IKBKBCHUKMAPTALDH1A1ROCK1 | |
| Trifluoroacetic Acid SCHEMBL3412946 | 0.94 | IKBKB (0.47) | IKBKBCHUKMAPTALDH1A1ROCK1 | |
| SCHEMBL3415186 | 0.93 | IKBKB (0.56) | IKBKBCHUKMAPTALDH1A1RAB9A | |
| Trifluoroacetic Acid SCHEMBL3417253 | 0.91 | IKBKB (0.46) | IKBKBCHUKMAPTALDH1A1ROCK1 | |
| Trifluoroacetic Acid SCHEMBL3412137 | 0.91 | IKBKB (0.47) | IKBKBCHUKMAPTALDH1A1RAB9A | |
| Trifluoroacetic Acid SCHEMBL3416575 | 0.91 | IKBKB (0.44) | IKBKBCHUKMAPTALDH1A1ROCK1 | |
| Trifluoroacetic Acid SCHEMBL3417264 | 0.90 | IKBKB (0.43) | IKBKBCHUKMAPTALDH1A1ROCK1 | |
| Trifluoroacetic Acid SCHEMBL3411450 | 0.89 | IKBKB (0.45) | IKBKBCHUKMAPTALDH1A1ROCK1 | |
| Trifluoroacetic Acid SCHEMBL3415851 | 0.88 | IKBKB (0.45) | IKBKBCHUKMAPTALDH1A1ROCK1 | |
| Trifluoroacetic Acid SCHEMBL3415629 | 0.88 | IKBKB (0.45) | IKBKBCHUKMAPTALDH1A1ROCK1 |
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 |