Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31738516 | 0.80 | ALDH1A1 (0.40) | ALDH1A1TSHRTP53CYP2D6CYP2C19 | |
| SCHEMBL10955651 | 0.76 | TP53 (0.36) | ALDH1A1TSHRTP53MAPTPTGS1 | |
| SCHEMBL4206119 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TSHRTP53MAPTPTGS1 | |
| SCHEMBL7326571 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TSHRTP53MAPTPTGS1 | |
| SCHEMBL2784566 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TSHRTP53MAPTPTGS1 | |
| SCHEMBL17407606 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TSHRTP53MAPTPTGS1 | |
| SCHEMBL2631496 | 0.73 | — | — | |
| SCHEMBL125061 | 0.73 | — | — | |
| SCHEMBL5541229 | 0.73 | — | — | |
| SCHEMBL8848440 | 0.73 | TP53 (0.44) | ALDH1A1TSHRTP53MAPTPTGS1 |
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-115836069-A | Salt of dihydropyrido [2,3-d ] pyrimidone derivative, preparation method and application thereof | 南京正大天晴制药有限公司 | 2023-03-21 | — | — | CN | disclosed |