Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.49 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.44 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 8/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL29859998 | 0.82 | AHR (0.56) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL26666452 | 0.82 | AHR (0.56) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL29643007 | 0.81 | BRD4 (0.48) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL15668600 | 0.77 | AHR (0.46) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL2078536 | 0.76 | AHR (0.49) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL9096698 | 0.75 | AHR (0.51) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL10364648 | 0.75 | CYP1A2 (0.48) | PDE3BPDE3ASMYD3CRBNCYP1A2 | |
| SCHEMBL4498867 | 0.74 | EPHX2 (0.52) | AHREPHX2SMYD3CRBN | |
| SCHEMBL688890 | 0.72 | TDP2 (0.61) | AHRPDE3BPDE3AEPHX2GAA | |
| SCHEMBL25254385 | 0.72 | RXRA (0.50) | GAA |
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-111285872-B | Indole-2-ketone derivative and preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-111285872-A | Indole-2-ketone derivative and preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2020-06-16 | — | — | CN | disclosed |