Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.46 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | GCGR | P47871 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31634047 | 0.87 | IRAK4 (0.50) | ALDH1A1IRAK4KCNN4ADRA2BALOX5AP | |
| SCHEMBL3632568 | 0.87 | IRAK4 (0.50) | ALDH1A1IRAK4KCNN4ADRA2BALOX5AP | |
| SCHEMBL30223435 | 0.83 | ALDH1A1 (0.56) | ALDH1A1IRAK4ADRA2BPTGS1TDP1 | |
| SCHEMBL104725 | 0.83 | ALDH1A1 (0.56) | ALDH1A1IRAK4ADRA2BPTGS1TDP1 | |
| Hydrochloric Acid SCHEMBL6118678 | 0.81 | ALDH1A1 (0.54) | ALDH1A1IRAK4ADRA2BPTGS1TDP1 | |
| SCHEMBL23000418 | 0.79 | GCGR (0.41) | IRAK4KCNN4ALOX5APFEN1TLR8 | |
| SCHEMBL30116386 | 0.79 | GCGR (0.41) | IRAK4KCNN4ALOX5APFEN1TLR8 | |
| SCHEMBL21202094 | 0.78 | CA1 (0.45) | ALDH1A1IRAK4KCNN4ADRA2BALOX5AP | |
| SCHEMBL395260 | 0.77 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1ADRA2BPTGS1TDP1 | |
| SCHEMBL1270982 | 0.76 | ALDH1A1 (0.65) | ALDH1A1L3MBTL1ADRA2BPTGS1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3601269-A1 | NOVEL INHIBITORS | Probiodrug AG (DE) | 2020-02-05 | — | — | EP | disclosed |
| WO-2018178384-A1 | NOVEL INHIBITORS | PROBIODRUG AG (DE) | 2018-10-04 | — | — | WO | disclosed |