Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4849949 | 0.89 | ADRB2 (0.45) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4852503 | 0.88 | ALDH1A1 (0.60) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4853715 | 0.88 | ALDH1A1 (0.60) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4849767 | 0.88 | KDM4E (0.47) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4846536 | 0.84 | CYP1A2 (0.53) | KDM4EALDH1A1MAPTADRB2ADRB1 | |
| SCHEMBL4854088 | 0.82 | KDM4E (0.45) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4853655 | 0.81 | ERN1 (0.53) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4848018 | 0.81 | ADRB2 (0.45) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4854690 | 0.81 | ADRB2 (0.45) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4845580 | 0.81 | SLC6A9 (0.49) | KDM4EALDH1A1MAPTMEN1KMT2A |
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 |