Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 5/20 | 0.37 |
| ▸ | EP300 | Q09472 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28519858 | 1.00 | BRD4 (0.37) | BRD4CREBBPEP300MEN1GAA | |
| SCHEMBL30570961 | 0.79 | BRD4 (0.50) | BRD4CREBBPEP300MEN1GAA | |
| SCHEMBL19225173 | 0.79 | BRD4 (0.50) | BRD4CREBBPEP300MEN1GAA | |
| SCHEMBL2723593 | 0.79 | BRD4 (0.50) | BRD4CREBBPEP300MEN1GAA | |
| SCHEMBL15508279 | 0.79 | BRD4 (0.50) | BRD4CREBBPEP300MEN1GAA | |
| SCHEMBL29898376 | 0.79 | BRD4 (0.50) | BRD4CREBBPEP300MEN1GAA | |
| SCHEMBL29004249 | 0.78 | NPC1 (0.31) | NPC1RAB9ACYP1A2CDK1MAPKAPK2 | |
| SCHEMBL16928520 | 0.78 | NPC1 (0.31) | NPC1RAB9ACYP1A2CDK1MAPKAPK2 | |
| SCHEMBL30570963 | 0.78 | NPC1 (0.31) | NPC1RAB9ACYP1A2CDK1MAPKAPK2 | |
| SCHEMBL29898372 | 0.78 | NPC1 (0.31) | NPC1RAB9ACYP1A2CDK1MAPKAPK2 |
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-116751170-A | Method for directly preparing semi-hydrogenated nitrogen-containing aromatic heterocyclic compound from sugar | 浙江大学 | 2023-09-15 | — | — | CN | disclosed |
| CN-111792999-B | Dinaphthylamine compounds, and preparation method and application thereof | 五邑大学 | 2022-08-09 | — | — | CN | disclosed |