Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CLK1 | P49759 | 1/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.30 |
| ▸ | DYRK1B | Q9Y463 | 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 | |
|---|---|---|---|---|
| SCHEMBL29669458 | 0.90 | PARP1 (0.42) | PARP1ERN1 | |
| SCHEMBL31550049 | 0.87 | PARP1 (0.33) | PARP1ERN1NOTUMMEN1KMT2A | |
| SCHEMBL6585012 | 0.81 | PARP1 (0.49) | PARP1ERN1NOTUMCLK1DYRK1A | |
| SCHEMBL17842806 | 0.80 | ERN1 (0.33) | ERN1MEN1KMT2ACLK1DYRK1A | |
| SCHEMBL9868550 | 0.77 | ERN1 (0.40) | PARP1ERN1NOTUM | |
| SCHEMBL21752430 | 0.74 | — | — | |
| SCHEMBL14824890 | 0.74 | PARP1 (0.33) | PARP1NOTUM | |
| SCHEMBL1142943 | 0.74 | PARP1 (0.37) | PARP1NOTUMMEN1KMT2A | |
| SCHEMBL30816184 | 0.73 | ERN1 (0.37) | PARP1ERN1NOTUMCLK1DYRK1A | |
| SCHEMBL28022280 | 0.73 | PARP1 (0.44) | PARP1NOTUM |
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-104774188-A | Benzohetercyclic or benzoheteraromatic-cyclic derivative and preparation method and application thereof in medicines | JIANGSU HENGRUI MEDICINE CO | 2015-07-15 | — | — | CN | disclosed |