Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.44 |
| ▸ | DPP4 | P27487 | 3/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7181397 | 1.00 | ABCG2 (0.44) | ABCG2DPP4CYP1A1CYP1B1CYP3A4 | |
| SCHEMBL7186614 | 0.92 | ABCG2 (0.42) | ABCG2DPP4CYP1A1CYP1B1CYP3A4 | |
| SCHEMBL7186612 | 0.92 | ABCG2 (0.42) | ABCG2DPP4CYP1A1CYP1B1CYP3A4 | |
| SCHEMBL7185949 | 0.91 | MAOB (0.42) | ABCG2CYP1A1CYP1B1CYP3A4MAOB | |
| SCHEMBL7185955 | 0.91 | MAOB (0.42) | ABCG2CYP1A1CYP1B1CYP3A4MAOB | |
| SCHEMBL7189364 | 0.90 | PTPN1 (0.42) | ABCG2DPP4 | |
| SCHEMBL7189361 | 0.90 | PTPN1 (0.42) | ABCG2DPP4 | |
| SCHEMBL7184366 | 0.89 | ABCG2 (0.40) | ABCG2DPP4CYP1A1CYP1B1CYP3A4 | |
| SCHEMBL7184362 | 0.89 | ABCG2 (0.40) | ABCG2DPP4CYP1A1CYP1B1CYP3A4 | |
| SCHEMBL7191045 | 0.89 | ABCG2 (0.56) | ABCG2DPP4CYP1A1CYP1B1MAOB |
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 |