Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 19/20 | 0.68 |
| ▸ | CHUK | O15111 | 1/20 | 0.68 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4946039 | 0.99 | IKBKB (0.67) | IKBKBCHUKCDK1CDK2 | |
| SCHEMBL5258716 | 0.92 | IKBKB (0.68) | IKBKBCHUKCDK1CDK2 | |
| Hydrochloric Acid SCHEMBL4945412 | 0.91 | IKBKB (0.67) | IKBKBCHUKCDK1CDK2 | |
| SCHEMBL14028514 | 0.91 | IKBKB (0.67) | IKBKBCHUK | |
| Hydrochloric Acid SCHEMBL4944448 | 0.90 | IKBKB (0.66) | IKBKBCHUK | |
| SCHEMBL14028492 | 0.88 | IKBKB (0.64) | IKBKBCHUK | |
| Hydrochloric Acid SCHEMBL4945738 | 0.87 | IKBKB (0.63) | IKBKBCHUK | |
| SCHEMBL14046503 | 0.86 | IKBKB (0.75) | IKBKBCHUKCDK1CDK2 | |
| SCHEMBL14028495 | 0.86 | IKBKB (0.61) | IKBKBCHUK | |
| Hydrochloric Acid SCHEMBL4939134 | 0.85 | IKBKB (0.60) | IKBKBCHUK |
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-7435743-B2 | Pyridine derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 2008-10-14 | — | — | US | disclosed |
| US-7435743-B2 | Pyridine derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 2008-10-14 | — | — | US | disclosed |
| EP-1326856-B1 | PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY | BAYER HEALTHCARE AG (DE) | 2007-12-19 | — | — | EP | disclosed |
| US-7232909-B2 | Pyridine derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 2007-06-19 | — | — | US | disclosed |
| US-7232909-B2 | Pyridine derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 2007-06-19 | — | — | US | disclosed |