Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610671 | 0.88 | HDAC1 (0.39) | HDAC1HDAC6 | |
| SCHEMBL29092844 | 0.83 | — | — | |
| SCHEMBL29040447 | 0.75 | — | — | |
| SCHEMBL28915991 | 0.75 | ALOX5AP (0.33) | HDAC1HDAC6NUDT1ALOX5APFEN1 | |
| SCHEMBL28449335 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL29267535 | 0.71 | TRPV1 (0.40) | — | |
| SCHEMBL30681884 | 0.71 | — | — | |
| SCHEMBL3009013 | 0.70 | KCNH2 (0.34) | — | |
| SCHEMBL28999416 | 0.69 | CYP1A2 (0.33) | — | |
| SCHEMBL16908557 | 0.68 | FTO (0.40) | — |
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-109438447-B | Preparation method and application of 5, 7-dihydro-6H-pyrrolo [2,3-d ] pyrimidine-6-ketone derivative | 北京工业大学 | 2020-10-16 | — | — | CN | disclosed |