Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SNCA | P37840 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | CASP4 | P49662 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | CASP9 | P55211 | 2/20 | 0.41 |
| ▸ | CASP6 | P55212 | 2/20 | 0.41 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8009607 | 0.90 | CA12 (0.46) | ALDH1A1LMNASNCACA12CA9 | |
| SCHEMBL8009610 | 0.90 | CA12 (0.46) | ALDH1A1LMNASNCACA12CA9 | |
| SCHEMBL6328682 | 0.89 | ALDH1A1 (0.44) | ALDH1A1LMNASNCACA12CA9 | |
| SCHEMBL6328679 | 0.89 | ALDH1A1 (0.44) | ALDH1A1LMNASNCACA12CA9 | |
| SCHEMBL8010164 | 0.89 | MEN1 (0.44) | ALDH1A1LMNASNCACA12CA9 | |
| SCHEMBL8010160 | 0.89 | MEN1 (0.44) | ALDH1A1LMNASNCACA12CA9 | |
| SCHEMBL4480293 | 0.87 | CES1 (0.41) | ALDH1A1LMNASNCACA12CA9 | |
| SCHEMBL4480297 | 0.87 | CES1 (0.41) | ALDH1A1LMNASNCACA12CA9 | |
| SCHEMBL4300695 | 0.86 | MAPK1 (0.48) | ALDH1A1LMNASNCACA12CA9 | |
| SCHEMBL4300692 | 0.86 | MAPK1 (0.48) | ALDH1A1LMNASNCACA12CA9 |
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 |