Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 10/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | TLR4 | O00206 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | TYMS | P04818 | 1/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.59 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.59 |
| ▸ | GART | P22102 | 1/20 | 0.59 |
| ▸ | APEX1 | P27695 | 1/20 | 0.59 |
| ▸ | CASP1 | P29466 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL29658170 | 0.92 | DHFR (0.71) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL221621 | 0.92 | DHFR (0.71) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1230259 | 0.91 | DHFR (0.70) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3171572 | 0.90 | DHFR (0.69) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL13529957 | 0.84 | DHFR (0.60) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL13985918 | 0.84 | DHFR (0.71) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL11913611 | 0.84 | DHFR (0.71) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL10379252 | 0.83 | DHFR (0.59) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| Methotrexate SCHEMBL31012287 | 0.82 | DHFR (0.89) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| Methotrexate SCHEMBL29450550 | 0.82 | DHFR (0.89) | DHFRKDM4ETLR4MEN1ALDH1A1 |
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-115561355-B | Method for detecting neutralizing antibody of carboxypeptidase G2 and detection system based on LC-MS/MS | 重庆迪纳利医药科技有限责任公司 | 2024-04-30 | — | — | CN | disclosed |
| CN-117607306-A | Method and kit for simultaneously detecting methotrexate and various metabolites thereof | 长沙都正生物科技股份有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-115561355-A | Method for detecting neutralizing antibody of carboxypeptidase G2 and LC-MS/MS-based detection system | 重庆迪纳利医药科技有限责任公司 | 2023-01-03 | — | — | CN | disclosed |