Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 8/20 | 0.42 |
| ▸ | BRD4 | O60885 | 6/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.40 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.40 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.40 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 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 | |
|---|---|---|---|---|
| SCHEMBL29172064 | 1.00 | HSP90AA1 (0.48) | HSP90AA1ESR2TDP1DHODHBRD4 | |
| SCHEMBL30798802 | 0.89 | BRD4 (0.40) | HSP90AA1ESR2TDP1DHODHBRD4 | |
| SCHEMBL29172080 | 0.89 | BRD4 (0.40) | HSP90AA1ESR2TDP1DHODHBRD4 | |
| SCHEMBL30799136 | 0.88 | BRD4 (0.41) | HSP90AA1ESR2TDP1DHODHBRD4 | |
| SCHEMBL29171852 | 0.87 | BRD4 (0.52) | HSP90AA1ESR2TDP1BRD4ALDH1A1 | |
| SCHEMBL30798711 | 0.87 | BRD4 (0.52) | HSP90AA1ESR2TDP1BRD4ALDH1A1 | |
| SCHEMBL29172010 | 0.85 | HSP90AA1 (0.45) | HSP90AA1ESR2TDP1DHODHBRD4 | |
| SCHEMBL30799002 | 0.85 | HSP90AA1 (0.45) | HSP90AA1ESR2TDP1DHODHBRD4 | |
| SCHEMBL30848214 | 0.84 | NOTUM (0.40) | DHODHBRD4POLBHPGDRAB9A | |
| SCHEMBL29171884 | 0.84 | NOTUM (0.40) | DHODHBRD4POLBHPGDRAB9A |
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-117720472-A | Benzimidazole compound, and preparation method and application thereof | 苏州沪云新药研发股份有限公司 | 2024-03-19 | — | — | CN | disclosed |