Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 12/20 | 0.58 |
| ▸ | CHUK | O15111 | 1/20 | 0.58 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.43 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4945886 | 0.99 | IKBKB (0.57) | IKBKBCHUKPRKCZPRKD2CHEK2 | |
| SCHEMBL14028464 | 0.79 | IKBKB (0.64) | IKBKBCHUKCDK2CDK1 | |
| Hydrochloric Acid SCHEMBL4947782 | 0.78 | IKBKB (0.63) | IKBKBCHUKCDK2CDK1 | |
| SCHEMBL14046503 | 0.78 | IKBKB (0.75) | IKBKBCHUKCDK2CDK1 | |
| SCHEMBL14028482 | 0.76 | IKBKB (0.56) | IKBKBCHUKPRKCZPRKD2CHEK2 | |
| SCHEMBL14028511 | 0.76 | IKBKB (0.72) | IKBKBCHUK | |
| Hydrochloric Acid SCHEMBL4942324 | 0.76 | IKBKB (0.55) | IKBKBCHUKPRKCZPRKD2CHEK2 | |
| SCHEMBL14028470 | 0.75 | IKBKB (0.70) | IKBKBCHUKCHEK2CDK2CDK1 | |
| Hydrochloric Acid SCHEMBL4947756 | 0.75 | IKBKB (0.71) | IKBKBCHUK | |
| SCHEMBL14028498 | 0.75 | IKBKB (0.56) | IKBKBCHUKCHEK2CDK2CDK1 |
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 |