Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.71 |
| ▸ | BCHE | P06276 | 10/20 | 0.71 |
| ▸ | ACHE | P22303 | 7/20 | 0.71 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.57 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.57 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.56 |
| ▸ | F3 | P13726 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4846087 | 0.89 | BCHE (0.68) | MAOBBCHEACHEMEN1ALDH1A1 | |
| SCHEMBL4847840 | 0.89 | BCHE (0.68) | MAOBBCHEACHEMEN1ALDH1A1 | |
| SCHEMBL25201561 | 0.85 | MAOB (0.73) | MAOBBCHEACHECYP1B1MEN1 | |
| SCHEMBL30382942 | 0.85 | MAOB (0.73) | MAOBBCHEACHECYP1B1MEN1 | |
| SCHEMBL25199791 | 0.85 | MAOB (0.73) | MAOBBCHEACHECYP1B1MEN1 | |
| SCHEMBL30382795 | 0.85 | MAOB (0.73) | MAOBBCHEACHECYP1B1MEN1 | |
| SCHEMBL4854115 | 0.85 | MAPT (0.63) | BCHEACHECYP1B1MEN1MAPT | |
| SCHEMBL4845309 | 0.85 | ABCG2 (0.60) | MAOBBCHEACHEMAPTCYP1A2 | |
| SCHEMBL4851228 | 0.85 | ABCG2 (0.60) | MAOBBCHEACHEMAPTCYP1A2 | |
| SCHEMBL4851385 | 0.84 | APP (0.59) | MAOBBCHEACHEMEN1ALDH1A1 |
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 |