Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | GRM5 | P41594 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21546608 | 0.96 | CLK4 (0.51) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL21546724 | 0.92 | CLK4 (0.54) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL21546504 | 0.91 | CLK4 (0.56) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL22760967 | 0.90 | ALDH1A3 (0.39) | CLK4CYP1A2CYP3A4ALDH1A1IDO1 | |
| SCHEMBL21546725 | 0.89 | CLK4 (0.51) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL21546502 | 0.89 | CLK4 (0.51) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL22760899 | 0.89 | CYP1A2 (0.46) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL21546941 | 0.86 | ALDH1A3 (0.37) | CLK4CYP1A2CYP3A4ALDH1A1IDO1 | |
| SCHEMBL22761151 | 0.86 | PGR (0.37) | CLK4 | |
| SCHEMBL21547069 | 0.86 | ADRA2C (0.38) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3478793-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2019-11-06 | — | — | EP | disclosed |