Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL22562258 | 0.96 | ALDH1A3 (0.40) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22562261 | 0.94 | ALDH1A3 (0.45) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22562259 | 0.92 | ALDH1A3 (0.42) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22562564 | 0.92 | ALDH1A3 (0.36) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22562440 | 0.90 | ALDH1A3 (0.41) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22562438 | 0.90 | ALDH1A3 (0.47) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22760636 | 0.90 | ALDH1A3 (0.45) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22562260 | 0.89 | ALDH1A3 (0.40) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21546627 | 0.88 | ALDH1A3 (0.43) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL22562439 | 0.87 | MYC (0.40) | ALDH1A3GABRG2GABRB3GABRA5GABRA3 |
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-3418278-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2020-10-21 | — | — | EP | disclosed |