Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 4/20 | 0.40 |
| ▸ | ELANE | P08246 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21546725 | 0.97 | CLK4 (0.51) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21546499 | 0.92 | CLK4 (0.56) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL22760715 | 0.92 | CLK4 (0.46) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21546611 | 0.91 | CLK4 (0.54) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21546608 | 0.91 | CLK4 (0.51) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21546726 | 0.91 | CLK4 (0.51) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21546631 | 0.90 | ALDH1A3 (0.38) | CLK4 | |
| SCHEMBL22761048 | 0.89 | CYP1A2 (0.47) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21546641 | 0.87 | CYP1A2 (0.41) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL22760662 | 0.86 | ALDH1A3 (0.39) | CLK4CYP1A2CYP3A4CYP2D6CYP2C19 |
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 |