Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.52 |
| ▸ | BCHE | P06276 | 4/20 | 0.51 |
| ▸ | ACHE | P22303 | 4/20 | 0.51 |
| ▸ | APP | P05067 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4846963 | 0.95 | TUBB1 (0.56) | TUBB1CYP1A2CYP1A1CYP1B1MCL1 | |
| SCHEMBL7197222 | 0.89 | TUBB1 (0.58) | TUBB1CYP1A2CYP1A1CYP1B1MCL1 | |
| SCHEMBL7197219 | 0.89 | TUBB1 (0.58) | TUBB1CYP1A2CYP1A1CYP1B1MCL1 | |
| SCHEMBL4853023 | 0.87 | MAPT (0.61) | CYP1A2CYP1A1CYP1B1BCHEACHE | |
| SCHEMBL4852954 | 0.87 | ABCG2 (0.59) | CYP1A2BCHEACHEAPPCYP3A4 | |
| SCHEMBL4846713 | 0.87 | MAOB (0.58) | CYP1A2BCHEACHEAPPCYP3A4 | |
| SCHEMBL30736488 | 0.84 | TUBB1 (0.69) | TUBB1CYP1A2CYP1A1CYP1B1MCL1 | |
| SCHEMBL31436339 | 0.84 | TUBB1 (0.69) | TUBB1CYP1A2CYP1A1CYP1B1MCL1 | |
| SCHEMBL4852282 | 0.82 | TUBB1 (0.58) | TUBB1CYP1A2CYP1A1CYP1B1MCL1 | |
| SCHEMBL4849937 | 0.82 | APP (0.58) | CYP1A2BCHEACHEAPPCYP3A4 |
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 |