Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 18/20 | 0.76 |
| ▸ | CHUK | O15111 | 15/20 | 0.76 |
| ▸ | CDK11B | P21127 | 2/20 | 0.55 |
| ▸ | CDK7 | P50613 | 2/20 | 0.55 |
| ▸ | CDK13 | Q14004 | 2/20 | 0.55 |
| ▸ | MAP3K19 | Q56UN5 | 2/20 | 0.55 |
| ▸ | MYLK4 | Q86YV6 | 2/20 | 0.55 |
| ▸ | CDK11A | Q9UQ88 | 2/20 | 0.55 |
| ▸ | ERN1 | O75460 | 1/20 | 0.55 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.55 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.55 |
| ▸ | KIT | P10721 | 1/20 | 0.55 |
| ▸ | CDK2 | P24941 | 1/20 | 0.55 |
| ▸ | TYK2 | P29597 | 1/20 | 0.55 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.55 |
| ▸ | CDK9 | P50750 | 1/20 | 0.55 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.55 |
| ▸ | CDK16 | Q00536 | 1/20 | 0.55 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL5137193 | 0.86 | IKBKB (1.00) | IKBKBCHUKCDK11BCDK7CDK13 | |
| SCHEMBL4984117 | 0.86 | IKBKB (1.00) | IKBKBCHUKCDK11BCDK7CDK13 | |
| Hydrochloric Acid SCHEMBL5749193 | 0.85 | IKBKB (1.00) | IKBKBCHUKCDK11BCDK7CDK13 | |
| SCHEMBL5076827 | 0.81 | IKBKB (1.00) | IKBKBCHUKCDK11BCDK7CDK13 | |
| SCHEMBL5748334 | 0.80 | IKBKB (1.00) | IKBKBCHUKCDK11BCDK7CDK13 | |
| SCHEMBL14431795 | 0.77 | IKBKB (1.00) | IKBKBCHUK | |
| SCHEMBL8112284 | 0.72 | IKBKB (0.76) | IKBKBCHUKCDK11BCDK7CDK13 | |
| SCHEMBL4980052 | 0.72 | IKBKB (0.67) | IKBKBCHUKCDK11BCDK7CDK13 | |
| SCHEMBL25735941 | 0.71 | IKBKB (0.80) | IKBKBCHUKCDK11BCDK7CDK13 | |
| Bms-345541 SCHEMBL118886 | 0.71 | IKBKB (1.00) | IKBKBCHUKCDK11BCDK7CDK13 |
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-2005009354-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY | PHARMACIA CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |