Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.53 |
| ▸ | IKBKB | O14920 | 12/20 | 0.49 |
| ▸ | CHUK | O15111 | 8/20 | 0.49 |
| ▸ | IKBKG | Q9Y6K9 | 7/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.49 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.49 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | SMG1 | Q96Q15 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8312581 | 0.95 | CDK1 (0.58) | CDK1IKBKBCHUKIKBKGMEN1 | |
| SCHEMBL8311072 | 0.89 | DGAT1 (0.49) | CDK1IKBKBCHUKIKBKGMEN1 | |
| SCHEMBL13590857 | 0.89 | CDK1 (0.54) | CDK1IKBKBCHUKIKBKGMEN1 | |
| SCHEMBL11924740 | 0.88 | MTOR (0.51) | CDK1IKBKBCHUKIKBKGMEN1 | |
| SCHEMBL11924733 | 0.88 | MTOR (0.60) | IKBKBCHUKIKBKGMEN1RECQL | |
| SCHEMBL14021190 | 0.88 | MTOR (0.60) | IKBKBCHUKIKBKGMEN1RECQL | |
| Hydrochloric Acid SCHEMBL4071661 | 0.88 | CDK1 (0.53) | CDK1IKBKBCHUKIKBKGMEN1 | |
| SCHEMBL8247959 | 0.88 | IKBKB (0.63) | IKBKBCHUKIKBKGMEN1RECQL | |
| SCHEMBL8254568 | 0.88 | JAK2 (0.55) | IKBKBCHUKIKBKGMEN1RECQL | |
| SCHEMBL14021219 | 0.87 | PIK3CA (0.58) | IKBKBCHUKIKBKGPIK3CAPIK3CB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7442699-B2 | Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-10-28 | — | — | US | disclosed |
| US-7442699-B2 | Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-10-28 | — | — | US | disclosed |
| US-7429599-B2 | Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-09-30 | — | — | US | disclosed |
| US-7429599-B2 | Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-09-30 | — | — | US | disclosed |
| WO-2004084901-A1 | METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK | SIGNAL PHARMACEUTICALS, LLC (US) | 2004-10-07 | — | — | WO | disclosed |