Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4848038 | 0.92 | ABCG2 (0.47) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4854786 | 0.90 | ABCG2 (0.49) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4856503 | 0.90 | ABCG2 (0.49) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4847516 | 0.90 | ABCG2 (0.50) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4848072 | 0.90 | LMNA (0.48) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4846089 | 0.86 | MAOB (0.55) | ABCG2TNFRSF1AHTR7KDM4EMAPT | |
| SCHEMBL4848052 | 0.86 | ABCG2 (0.48) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL14280885 | 0.86 | PDE4A (0.46) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4848333 | 0.86 | PDE4A (0.46) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4845636 | 0.85 | TNFRSF1A (0.49) | TNFRSF1AHTR7KDM4ESMN1; SMN2ALDH1A1 |
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-20050227990-A1 | Aminoalkoxy-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2005-10-13 | — | — | US | claimed |
| US-7423181-B2 | in particular against bacterial and parasitic infections, fungi, and helminths; improved metabolic and physiochemical properties, bioavailability, solubility; 3-[4-(2-Dimethylamino-ethoxy)-2'-trifluoromethyl-biphenyl-3-yl]-1-(2-dimethylaminomethyl-phenyl)-propenone | LICA PHARMACEUTICALS A/S (DK) | 2008-09-09 | — | — | US | disclosed |
| US-20050227990-A1 | Aminoalkoxy-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2005-10-13 | — | — | US | disclosed |