Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8724892 | 0.86 | PDK2 (0.30) | PDK2CES2CES1 | |
| SCHEMBL8903600 | 0.84 | PDK2 (0.34) | PDK2 | |
| SCHEMBL8894970 | 0.82 | PDK2 (0.33) | PDK2 | |
| SCHEMBL8895748 | 0.77 | — | — | |
| SCHEMBL9819114 | 0.77 | PDK2 (0.33) | PDK2 | |
| SCHEMBL1201503 | 0.73 | CES2 (0.33) | CES2CES1 | |
| SCHEMBL17414233 | 0.73 | PDK2 (0.44) | PDK2 | |
| SCHEMBL11319543 | 0.73 | PDK2 (0.37) | PDK2CES2CES1 | |
| SCHEMBL31371728 | 0.72 | GPR84 (0.30) | — | |
| SCHEMBL8893303 | 0.72 | CYP2A6 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997020827-A1 | FLUOROPHENYL-TRIAZINE AND PYRIMIDINE DERIVATIVES AS COMPOUNDS ACTING ON THE CENTRAL NERVOUS SYSTEM | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1997-06-12 | — | — | WO | disclosed |