Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4856576 | 0.99 | CYP2D6 (0.52) | CYP2D6CYP2C19ALDH1A1KDM4EKMT2A | |
| SCHEMBL4854885 | 0.93 | TDP1 (0.56) | CYP2D6CYP2C19ALDH1A1KDM4EKMT2A | |
| SCHEMBL4854976 | 0.79 | CYP1A2 (0.47) | CYP2D6CYP2C19ALDH1A1KDM4EKMT2A | |
| SCHEMBL4855017 | 0.79 | KDM4E (0.49) | ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL10679697 | 0.78 | HRH3 (0.68) | — | |
| SCHEMBL11022798 | 0.78 | CYP2D6 (0.71) | CYP2D6CYP2C19ALDH1A1KDM4EKMT2A | |
| SCHEMBL10679192 | 0.78 | HRH3 (0.69) | ALDH1A1KDM4EL3MBTL1BACE1 | |
| SCHEMBL4852186 | 0.78 | SLC6A9 (0.46) | CYP2D6CYP2C19ALDH1A1KDM4EKMT2A | |
| SCHEMBL4854149 | 0.78 | BACE1 (0.52) | ALDH1A1KDM4EKMT2AMEN1LMNA | |
| SCHEMBL4849739 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KDM4EKMT2AMEN1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |