Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | DHFR | P00374 | 2/20 | 0.48 |
| ▸ | HCN1 | O60741 | 2/20 | 0.46 |
| ▸ | HCN4 | Q9Y3Q4 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28386447 | 0.98 | CYP2D6 (0.53) | CYP2D6CYP2C19DHFRHCN1HCN4 | |
| SCHEMBL1921570 | 0.88 | CYP2D6 (0.62) | CYP2D6CYP2C19ALDH1A1CYP1A2TSHR | |
| SCHEMBL9381224 | 0.82 | MAPT (0.56) | CYP2D6DHFRHCN1HCN4ALDH1A1 | |
| SCHEMBL1160956 | 0.80 | DHFR (0.44) | CYP2D6CYP2C19DHFRHCN1HCN4 | |
| SCHEMBL28470935 | 0.79 | ALDH1A1 (0.53) | CYP2D6CYP2C19ALDH1A1NPSR1CYP1A2 | |
| SCHEMBL11697719 | 0.78 | CYP2D6 (0.51) | CYP2D6CYP2C19ALDH1A1CYP1A2TSHR | |
| SCHEMBL10619140 | 0.78 | CYP2D6 (0.47) | CYP2D6CYP2C19ALDH1A1MAPTCYP1A2 | |
| SCHEMBL4647647 | 0.77 | ALDH1A1 (0.45) | CYP2D6CYP2C19ALDH1A1MAPTCYP1A2 | |
| SCHEMBL229388 | 0.77 | ALDH1A1 (0.45) | CYP2D6CYP2C19ALDH1A1MAPTCYP1A2 | |
| SCHEMBL9848430 | 0.77 | CYP2D6 (0.46) | CYP2D6CYP2C19ALDH1A1MAPTCRHBP |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105683180-B | NMDA antagonist prodrugs | 阿斯利康(瑞典)有限公司 | 2020-01-21 | — | — | CN | claimed |
| EP-4279476-A1 | METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2023-11-22 | — | — | EP | disclosed |
| WO-2022149618-A1 | METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP | 中外製薬株式会社 | 2022-07-14 | — | — | WO | disclosed |
| CN-111187202-A | NMDA antagonist prodrugs | 阿斯利康(瑞典)有限公司 | 2020-05-22 | — | — | CN | disclosed |
| CN-111187202-A | NMDA antagonist prodrugs | 阿斯利康(瑞典)有限公司 | 2020-05-22 | — | — | CN | disclosed |
| CN-105683180-B | NMDA antagonist prodrugs | 阿斯利康(瑞典)有限公司 | 2020-01-21 | — | — | CN | disclosed |
| CN-105683180-B | NMDA antagonist prodrugs | 阿斯利康(瑞典)有限公司 | 2020-01-21 | — | — | CN | disclosed |