Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 6/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27651191 | 0.80 | TDP1 (0.40) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL11150364 | 0.78 | TDP1 (0.39) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL20225964 | 0.78 | TDP1 (0.42) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL2077448 | 0.78 | TDP1 (0.42) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL940383 | 0.78 | ADRA1A (0.44) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL2078015 | 0.78 | TDP1 (0.42) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL10609023 | 0.76 | TSHR (0.40) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL10609026 | 0.76 | TSHR (0.40) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL6368837 | 0.76 | TDP1 (0.37) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL8399207 | 0.76 | TDP1 (0.41) | TDP1CHRM1AKR1A1CHRM3HTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106795174-B | Antiviral active diazacyclospirodiketopiperazine alkaloid derivative and preparation method thereof | 扬州蓝色生物医药科技有限公司 | 2020-04-28 | — | — | CN | claimed |
| CN-109069523-B | Mannan-oligosaccharide compound and application thereof as anti-RNA virus drug | 扬州蓝色生物医药科技有限公司 | 2022-05-06 | — | — | CN | disclosed |
| CN-106795174-B | Antiviral active diazacyclospirodiketopiperazine alkaloid derivative and preparation method thereof | 扬州蓝色生物医药科技有限公司 | 2020-04-28 | — | — | CN | disclosed |