Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.42 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7184801 | 1.00 | ABCG2 (0.42) | ABCG2DPP4CYP1A1CYP1B1CYP3A4 | |
| SCHEMBL7178680 | 0.93 | MAOB (0.40) | ABCG2CYP1A1CYP1B1CYP3A4MAOB | |
| SCHEMBL7178684 | 0.93 | MAOB (0.40) | ABCG2CYP1A1CYP1B1CYP3A4MAOB | |
| SCHEMBL7185636 | 0.89 | ABCG2 (0.53) | ABCG2DPP4CYP1A1CYP1B1MAOB | |
| SCHEMBL7185637 | 0.89 | ABCG2 (0.53) | ABCG2DPP4CYP1A1CYP1B1MAOB | |
| SCHEMBL7191523 | 0.88 | ABCG2 (0.43) | ABCG2DPP4CYP1A1CYP1B1CYP3A4 | |
| SCHEMBL7191521 | 0.88 | ABCG2 (0.43) | ABCG2DPP4CYP1A1CYP1B1CYP3A4 | |
| SCHEMBL7189627 | 0.86 | ALDH1A1 (0.43) | ABCG2CYP3A4KDM4EALDH1A1LMNA | |
| SCHEMBL7189623 | 0.86 | ALDH1A1 (0.43) | ABCG2CYP3A4KDM4EALDH1A1LMNA | |
| SCHEMBL7186096 | 0.85 | CYP3A4 (0.39) | ABCG2CYP3A4KDM4EALDH1A1LMNA |
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 3 patents. 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 |
| EP-0634927-B1 | TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA | LICA PHARMACEUTICALS AS (DK) | 2001-07-04 | — | — | EP | disclosed |
| US-5985935-A | PARASITICIDES OR BACTERICIDES | STATENS SERUMINSTITUT (DK) | 1999-11-16 | — | — | US | disclosed |