Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.51 |
| ▸ | KRAS | P01116 | 6/20 | 0.46 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7192161 | 1.00 | ABCG2 (0.51) | ABCG2KRASTNFRSF1ACYP1A2CYP3A4 | |
| SCHEMBL7182394 | 0.87 | CAPN1 (0.55) | ABCG2MEN1KMT2AALDH1A1MAOB | |
| SCHEMBL7182392 | 0.87 | CAPN1 (0.55) | ABCG2MEN1KMT2AALDH1A1MAOB | |
| SCHEMBL7187114 | 0.86 | ABCG2 (0.39) | ABCG2KRASTNFRSF1ACYP1A2CYP3A4 | |
| SCHEMBL7187107 | 0.86 | ABCG2 (0.39) | ABCG2KRASTNFRSF1ACYP1A2CYP3A4 | |
| SCHEMBL7191169 | 0.86 | CA1 (0.58) | ABCG2KRASTNFRSF1ACYP1A2CYP3A4 | |
| SCHEMBL7191166 | 0.86 | CA1 (0.58) | ABCG2KRASTNFRSF1ACYP1A2CYP3A4 | |
| SCHEMBL7189079 | 0.84 | ABCG2 (0.55) | ABCG2KRASCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7189075 | 0.84 | ABCG2 (0.55) | ABCG2KRASCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7184271 | 0.84 | ABCG2 (0.51) | ABCG2KRASTNFRSF1ACYP1A2CYP3A4 |
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 |