Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Benzyl Carbamate SCHEMBL5783812 | 0.93 | ALDH1A1 (0.56) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Benzyl Carbamate SCHEMBL8592590 | 0.92 | ALDH1A1 (0.64) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Benzyl Carbamate SCHEMBL6992838 | 0.92 | ALDH1A1 (0.64) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Benzyl Carbamate SCHEMBL1697 | 0.92 | ALDH1A1 (0.63) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Benzyl Carbamate SCHEMBL30227887 | 0.92 | ALDH1A1 (0.63) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Benzyl Carbamate SCHEMBL30227819 | 0.92 | ALDH1A1 (0.63) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Benzyl Carbamate SCHEMBL10700633 | 0.92 | ALDH1A1 (0.63) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Benzyl Carbamate SCHEMBL11299634 | 0.91 | ALDH1A1 (0.55) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Benzyl Carbamate SCHEMBL27278367 | 0.90 | ALDH1A1 (0.68) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Benzyl Carbamate SCHEMBL28086051 | 0.90 | ALDH1A1 (0.62) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113195497-A | Novel imidazopyrazine derivatives | 豪夫迈·罗氏有限公司 | 2021-07-30 | — | — | CN | disclosed |