Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16628742 | 1.00 | MAPK1 (0.35) | MAPK1PTGS1DPP4KCNA3KDM4E | |
| SCHEMBL29117284 | 0.85 | MAPK1 (0.37) | MAPK1PTGS1DPP4KDM4E | |
| SCHEMBL29046671 | 0.81 | DGAT1 (0.35) | DPP4 | |
| SCHEMBL4411085 | 0.81 | PLG (0.38) | MAPK1PTGS1DPP4KDM4E | |
| SCHEMBL3877084 | 0.81 | CYP2C19 (0.47) | MAPK1PTGS1DPP4KDM4E | |
| SCHEMBL5180 | 0.80 | MAPK1 (0.55) | MAPK1KDM4E | |
| SCHEMBL5752 | 0.80 | MAPK1 (0.55) | MAPK1KDM4E | |
| SCHEMBL5270 | 0.80 | MAPK1 (0.55) | MAPK1KDM4E | |
| SCHEMBL15111460 | 0.79 | CYP2C19 (0.32) | — | |
| SCHEMBL28278251 | 0.79 | CYP2C19 (0.50) | MAPK1PTGS1DPP4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2488493-B1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | HOFFMANN LA ROCHE (CH) | 2015-04-15 | — | — | EP | disclosed |