Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | SCN2A | Q99250 | 5/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.43 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | USP8 | P40818 | 1/20 | 0.40 |
| ▸ | USP7 | Q93009 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6689272 | 0.85 | MEN1 (0.53) | MEN1KMT2ASCN2APIM3HIPK4 | |
| SCHEMBL22163714 | 0.81 | AR (0.48) | ARDRD2DRD3KCNH2PGR | |
| SCHEMBL14387538 | 0.78 | GRM1 (0.44) | MEN1KMT2ANR1H3GRM1PGR | |
| SCHEMBL1633789 | 0.78 | MEN1 (0.45) | MEN1KMT2ASCN2APIM3HIPK4 | |
| SCHEMBL6676204 | 0.76 | MEN1 (0.46) | MEN1KMT2ASCN2APIM3HIPK4 | |
| SCHEMBL10999030 | 0.76 | KMT2A (0.62) | MEN1KMT2ASCN2APIM3HIPK4 | |
| SCHEMBL7360730 | 0.76 | SCN2A (0.62) | MEN1KMT2ASCN2APIM3HIPK4 | |
| SCHEMBL11520347 | 0.73 | PGR (0.63) | ARMEN1KMT2ASCN2ANR1H3 | |
| SCHEMBL5574945 | 0.72 | POLB (0.49) | ARMEN1KMT2ACA12CA1 | |
| SCHEMBL29870828 | 0.72 | GRM5 (0.54) | MEN1KMT2ADRD2DRD3SCN2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111601789-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 江苏凯迪恩医药科技有限公司 | 2020-08-28 | — | — | CN | disclosed |
| WO-2020124500-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 江苏凯迪恩医药科技有限公司 | 2020-06-25 | — | — | WO | disclosed |