Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | SQOR | Q9Y6N5 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22562366 | 0.97 | ALDH1A3 (0.41) | ALDH1A3ADORA2AADORA1GABRA1GABRG2 | |
| SCHEMBL22562365 | 0.94 | ALDH1A3 (0.39) | ALDH1A3ADORA2AADORA1GABRA1GABRG2 | |
| SCHEMBL22562398 | 0.93 | MYC (0.40) | ALDH1A3ADORA2AADORA1GABRA1GABRG2 | |
| SCHEMBL22760804 | 0.90 | ALDH1A3 (0.46) | ALDH1A3ADORA2AADORA1GABRA1GABRG2 | |
| SCHEMBL22562530 | 0.90 | ALDH1A3 (0.41) | ALDH1A3ADORA2AADORA1GABRA1GABRG2 | |
| SCHEMBL22562529 | 0.89 | ADORA2A (0.36) | ADORA2AADORA1SQORMEN1KMT2A | |
| SCHEMBL22562394 | 0.89 | MYC (0.42) | ALDH1A3ADORA2AADORA1GABRA1GABRG2 | |
| SCHEMBL22562523 | 0.89 | MEN1 (0.40) | ALDH1A3ADORA2AADORA1SQORMEN1 | |
| SCHEMBL22562258 | 0.88 | ALDH1A3 (0.40) | ALDH1A3ADORA2AGABRA1GABRG2GABRB3 | |
| SCHEMBL21546840 | 0.88 | ADORA2A (0.37) | ALDH1A3ADORA2AADORA1GABRA1GABRG2 |
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 |