Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL2348355 | 0.95 | TDP1 (0.42) | TDP1TP53ALDH1A1GAA | |
| Bicarbonate SCHEMBL8871100 | 0.81 | TDP1 (0.61) | TDP1TP53ALDH1A1GAACYP2D6 | |
| Bicarbonate SCHEMBL20542224 | 0.78 | TDP1 (0.57) | TDP1TP53ALDH1A1GAACYP2D6 | |
| Oxalic Acid SCHEMBL21145225 | 0.78 | TDP1 (0.57) | TDP1TP53ALDH1A1GAACYP2D6 | |
| Oxalic Acid SCHEMBL21145223 | 0.78 | TDP1 (0.57) | TDP1TP53ALDH1A1GAACYP2D6 | |
| SCHEMBL23884959 | 0.78 | TP53 (0.39) | TP53ALDH1A1 | |
| Acetic Acid SCHEMBL1114492 | 0.78 | TDP1 (0.57) | TDP1TP53ALDH1A1GAACYP2D6 | |
| Acetic Acid SCHEMBL29173803 | 0.78 | TDP1 (0.57) | TDP1TP53ALDH1A1GAACYP2D6 | |
| Hydrogen Peroxide SCHEMBL135019 | 0.77 | — | — | |
| Hydrogen Peroxide SCHEMBL135017 | 0.77 | TDP1 (0.80) | TDP1TP53ALDH1A1GAA |
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-112955453-B | Pyrazolopyrimidine derivatives as selective Trk inhibitors | 山东绿叶制药有限公司 | 2022-04-19 | — | — | CN | disclosed |
| CN-112955453-A | Pyrazolopyrimidine derivatives as selective Trk inhibitors | 山东绿叶制药有限公司 | 2021-06-11 | — | — | CN | disclosed |