Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNK | O75909 | 1/20 | 0.42 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 3/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.36 |
| ▸ | CDC42BPB | Q9Y5S2 | 3/20 | 0.36 |
| ▸ | CDC42BPA | Q5VT25 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 3/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.33 |
| ▸ | CDK9 | P50750 | 2/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL855137 | 0.77 | HTR2A (0.48) | CCNKCDK12JAK3LRRK2ROCK2 | |
| SCHEMBL29959299 | 0.73 | LRRK2 (0.57) | CCNKCDK12LRRK2ROCK2ROCK1 | |
| SCHEMBL29736567 | 0.73 | CCNK (0.44) | CCNKCDK12JAK3LRRK2ROCK2 | |
| SCHEMBL19478522 | 0.73 | CCNK (0.44) | CCNKCDK12JAK3LRRK2ROCK2 | |
| SCHEMBL23169939 | 0.73 | TRPA1 (0.46) | CCNKCDK12JAK3LRRK2ROCK2 | |
| SCHEMBL2692680 | 0.73 | LRRK2 (0.57) | CCNKCDK12LRRK2ROCK2ROCK1 | |
| SCHEMBL19932612 | 0.73 | CCNK (0.44) | CCNKCDK12JAK3LRRK2ROCK2 | |
| SCHEMBL17843962 | 0.72 | KMT2A (0.51) | CCNKCDK12LRRK2ROCK2ROCK1 | |
| SCHEMBL26349932 | 0.72 | AURKA (0.37) | LRRK2ROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL20757909 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022110052-A1 | NITROGEN-CONTAINING HETEROCYCLIC 5-HT3 RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 科岭源生物科技(深圳)有限公司 | 2022-06-02 | — | — | WO | disclosed |