Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
| ▸ | DPP4 | P27487 | 3/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | ELANE | P08246 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 5/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7181295 | 1.00 | ABCG2 (0.45) | ABCG2CYP1A1CYP1B1DPP4PTPN1 | |
| SCHEMBL7185138 | 0.94 | ABCG2 (0.47) | ABCG2CYP1A1CYP1B1DPP4PTPN1 | |
| SCHEMBL7185141 | 0.94 | ABCG2 (0.47) | ABCG2CYP1A1CYP1B1DPP4PTPN1 | |
| SCHEMBL7191926 | 0.92 | ABCG2 (0.48) | ABCG2CYP1A1CYP1B1DPP4PTPN1 | |
| SCHEMBL7191927 | 0.92 | ABCG2 (0.48) | ABCG2CYP1A1CYP1B1DPP4PTPN1 | |
| SCHEMBL7192062 | 0.88 | PTPN1 (0.46) | ABCG2CYP1A1CYP1B1DPP4PTPN1 | |
| SCHEMBL7192058 | 0.88 | PTPN1 (0.46) | ABCG2CYP1A1CYP1B1DPP4PTPN1 | |
| SCHEMBL7180131 | 0.87 | ABCG2 (0.44) | ABCG2CYP1A1CYP1B1DPP4PTPN1 | |
| SCHEMBL7180127 | 0.87 | ABCG2 (0.44) | ABCG2CYP1A1CYP1B1DPP4PTPN1 | |
| SCHEMBL7179218 | 0.87 | MAOB (0.44) | ABCG2CYP1A1CYP1B1ELANEMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-6603046-B1 | The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. | LICA PHARMACEUTICALS A/S (DK) | 2003-08-05 | — | — | US | disclosed |