Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 6/20 | 0.36 |
| ▸ | CDK4 | P11802 | 3/20 | 0.35 |
| ▸ | CCND1 | P24385 | 2/20 | 0.35 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CCND3 | P30281 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.34 |
| ▸ | ACACB | O00763 | 2/20 | 0.34 |
| ▸ | LIPE | Q05469 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25085579 | 0.76 | KCNH2 (0.37) | CDK4CCND1CDK6KCNH2CHRNB2 | |
| SCHEMBL10858 | 0.76 | LIPE (0.57) | KCNJ1ITGB3ITGA2BLIPE | |
| SCHEMBL5757 | 0.76 | LIPE (0.57) | KCNJ1ITGB3ITGA2BLIPE | |
| SCHEMBL10859 | 0.76 | LIPE (0.57) | KCNJ1ITGB3ITGA2BLIPE | |
| SCHEMBL5651 | 0.75 | LIPE (0.38) | ITGB3ITGA2BLIPE | |
| SCHEMBL23102752 | 0.75 | KCNH2 (0.37) | KCNH2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL5924 | 0.74 | ITGB3 (0.38) | ITGB3ITGA2BLIPE | |
| SCHEMBL23103197 | 0.74 | CYP2C19 (0.33) | KCNH2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL23103198 | 0.74 | CYP2C19 (0.33) | KCNH2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL23103203 | 0.74 | CYP2C19 (0.33) | KCNH2CHRNB2CHRNB4CHRNA3CHRNA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2488493-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. Hoffmann-La Roche AG (CH) | 2012-08-22 | — | — | EP | claimed |
| WO-2011045292-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | WO | claimed |