Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.52 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | S100A4 | P26447 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.42 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.42 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.42 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.42 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.42 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.42 |
| ▸ | GRIK4 | Q16099 | 1/20 | 0.42 |
| ▸ | GRIK5 | Q16478 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL29126955 | 0.87 | TDP1 (0.44) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL29563136 | 0.82 | ALDH1A1 (0.59) | TDP1ALDH1A1TSHRSMN1; SMN2MEN1 | |
| SCHEMBL29126947 | 0.77 | TDP1 (0.42) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL29444848 | 0.77 | GRIK1 (0.49) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL1320968 | 0.77 | GRIK1 (0.49) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL22341714 | 0.71 | PDE10A (0.58) | TDP1ALDH1A1TSHRSMN1; SMN2GAA | |
| SCHEMBL3039191 | 0.71 | TDP1 (0.67) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL22566 | 0.70 | HSD17B10 (0.67) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL29577518 | 0.70 | HSD17B10 (0.67) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL16355165 | 0.70 | HSD17B10 (0.67) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 |
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-108503657-B | Boron-nitrogen doped fused ring aromatic hydrocarbon containing five-membered heterocycle and synthetic method and application thereof | 天津理工大学 | 2022-08-16 | — | — | CN | disclosed |
| CN-108503657-A | Boron N doping polycyclic aromatic hydrocarbon and its synthetic method containing five-ring heterocycles and application | 天津理工大学 | 2018-09-07 | — | — | CN | disclosed |