Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.63 |
| ▸ | CA2 | P00918 | 2/20 | 0.63 |
| ▸ | CA9 | Q16790 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL115706 | 1.00 | CA1 (0.63) | CA1CA2CA9MAPTKMT2A | |
| SCHEMBL7569526 | 0.87 | HDAC1 (0.52) | CA1CA2CA9MAPTKMT2A | |
| SCHEMBL30641940 | 0.87 | ALDH1A1 (0.58) | CA1CA2CA9MAPTKMT2A | |
| SCHEMBL520441 | 0.87 | ALDH1A1 (0.58) | CA1CA2CA9MAPTKMT2A | |
| SCHEMBL8966015 | 0.84 | NPC1 (0.54) | CA1CA2CA9MAPTHSD17B10 | |
| SCHEMBL628743 | 0.82 | NPC1 (0.66) | CA1CA2CA9MAPTHSD17B10 | |
| SCHEMBL22505690 | 0.82 | MAPT (0.62) | CA1CA2CA9MAPTKMT2A | |
| SCHEMBL29822237 | 0.82 | KDM4E (0.66) | CA1CA2CA9HSD17B10SMN1; SMN2 | |
| SCHEMBL4311940 | 0.82 | KDM4E (0.66) | CA1CA2CA9HSD17B10SMN1; SMN2 | |
| SCHEMBL9400181 | 0.82 | RAB9A (0.63) | CA1CA2CA9MAPTHSD17B10 |
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-115667264-A | Novel imidazo-pyrazine derivatives | 豪夫迈·罗氏有限公司 | 2023-01-31 | — | — | CN | disclosed |