Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.38 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.37 |
| ▸ | CCR9 | P51686 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30556734 | 1.00 | ABL1 (0.42) | ABL1MAP2K1TDP1DRD1SCN8A | |
| SCHEMBL29092977 | 0.89 | MAP2K1 (0.41) | ABL1MAP2K1TDP1DRD1SCN8A | |
| SCHEMBL30556732 | 0.89 | MAP2K1 (0.41) | ABL1MAP2K1TDP1DRD1SCN8A | |
| SCHEMBL29092955 | 0.85 | ABL1 (0.41) | ABL1MAP2K1TDP1DRD1DHODH | |
| SCHEMBL30556716 | 0.85 | ABL1 (0.41) | ABL1MAP2K1TDP1DRD1DHODH | |
| SCHEMBL29092645 | 0.85 | MAP2K1 (0.41) | MAP2K1TDP1DRD1KDM4EMAPT | |
| SCHEMBL30556711 | 0.85 | MAP2K1 (0.41) | MAP2K1TDP1DRD1KDM4EMAPT | |
| SCHEMBL29092394 | 0.83 | MAP2K1 (0.41) | MAP2K1TDP1DRD1SCN8ASCN10A | |
| SCHEMBL29092397 | 0.82 | KDM4E (0.38) | ABL1TDP1KDM4EMAPTMEN1 | |
| SCHEMBL30556718 | 0.82 | KDM4E (0.38) | ABL1TDP1KDM4EMAPTMEN1 |
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-109956929-B | Heterocyclic derivative, preparation method, pharmaceutical composition and application thereof | 上海迪诺医药科技有限公司 | 2023-09-19 | — | — | CN | disclosed |