Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9044787 | 0.87 | AOC3 (0.42) | AOC3DHFR | |
| SCHEMBL16486606 | 0.83 | AOC3 (0.42) | AOC3HTR2A | |
| SCHEMBL28238100 | 0.79 | HTT (0.49) | — | |
| SCHEMBL9042020 | 0.79 | ROCK1 (0.42) | AOC3DHFR | |
| SCHEMBL7499087 | 0.78 | LTA4H (0.43) | AOC3HTR2ACALM1 | |
| SCHEMBL380792 | 0.77 | DHFR (0.67) | DHFR | |
| Hydrochloric Acid SCHEMBL8377343 | 0.76 | DHFR (0.65) | DHFR | |
| Water SCHEMBL28837029 | 0.76 | DHFR (0.65) | DHFR | |
| SCHEMBL5727329 | 0.74 | DHFR (0.49) | DHFR | |
| SCHEMBL5726544 | 0.74 | DHFR (0.49) | DHFR |
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-108498504-A | A kind of pharmaceutical composition and its preparation method and application for treating the proliferation of mammary gland | 李娜 | 2018-09-07 | — | — | CN | claimed |
| CN-108498504-A | A kind of pharmaceutical composition and its preparation method and application for treating the proliferation of mammary gland | 李娜 | 2018-09-07 | — | — | CN | disclosed |