Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | KRAS | P01116 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7192098 | 1.00 | CYP1B1 (0.44) | CYP1B1CYP1A1CYP1A2CYP2D6CA1 | |
| SCHEMBL7184211 | 0.90 | ABCG2 (0.51) | CYP1B1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL7184207 | 0.90 | ABCG2 (0.51) | CYP1B1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL7192091 | 0.89 | PTPN1 (0.42) | CYP1B1CYP1A1CYP1A2CYP2D6CA1 | |
| SCHEMBL7192086 | 0.89 | PTPN1 (0.42) | CYP1B1CYP1A1CYP1A2CYP2D6CA1 | |
| SCHEMBL7189584 | 0.89 | CA1 (0.42) | CYP1B1CYP1A1CA1CA2KRAS | |
| SCHEMBL7180071 | 0.88 | ABCG2 (0.43) | CYP1B1CYP1A1CYP1A2CA1CA2 | |
| SCHEMBL7179724 | 0.87 | LMNA (0.44) | CYP1B1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL7185112 | 0.87 | CYP1A1 (0.42) | CYP1B1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL7179723 | 0.87 | LMNA (0.44) | CYP1B1CYP1A1CYP1A2CYP2D6MAPT |
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 |