Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7184890 | 1.00 | ABCG2 (0.45) | ABCG2PTPN1NPC1MAPTRAB9A | |
| SCHEMBL7803247 | 0.86 | ABCG2 (0.52) | ABCG2PTPN1NPC1MAPTRAB9A | |
| SCHEMBL7191615 | 0.86 | ABCG2 (0.52) | ABCG2PTPN1NPC1MAPTRAB9A | |
| SCHEMBL1938581 | 0.85 | ABCG2 (0.59) | ABCG2PTPN1NPC1MAPTRAB9A | |
| SCHEMBL1938583 | 0.85 | ABCG2 (0.59) | ABCG2PTPN1NPC1MAPTRAB9A | |
| SCHEMBL7182842 | 0.84 | ABCG2 (0.45) | ABCG2PTPN1NPC1MAPTRAB9A | |
| SCHEMBL7187132 | 0.79 | PTPN1 (0.55) | PTPN1NPC1MAPTRAB9AALDH1A1 | |
| SCHEMBL7796279 | 0.79 | PTPN1 (0.55) | PTPN1NPC1MAPTRAB9AALDH1A1 | |
| SCHEMBL7186397 | 0.77 | PTPN1 (0.46) | ABCG2PTPN1NPC1MAPTRAB9A | |
| SCHEMBL7177696 | 0.77 | PTPN1 (0.46) | ABCG2PTPN1NPC1MAPTRAB9A |
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 | claimed |