Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.39 |
| ▸ | CDK2 | P24941 | 3/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CDK7 | P50613 | 1/20 | 0.39 |
| ▸ | CCNH | P51946 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28103861 | 1.00 | GRM5 (0.45) | GRM5PTGS2SIRT5CCNA2CDK2 | |
| SCHEMBL28103859 | 1.00 | GRM5 (0.45) | GRM5PTGS2SIRT5CCNA2CDK2 | |
| SCHEMBL28103871 | 0.89 | GRM5 (0.47) | GRM5PTGS2LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL28103867 | 0.89 | GRM5 (0.47) | GRM5PTGS2LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL28103551 | 0.87 | CCNA2 (0.52) | GRM5CCNA2CDK2CDK1CDK4 | |
| SCHEMBL28103553 | 0.87 | CCNA2 (0.52) | GRM5CCNA2CDK2CDK1CDK4 | |
| SCHEMBL28103862 | 0.87 | PTGS2 (0.57) | GRM5PTGS2LMNAALDH1A1NPY5R | |
| SCHEMBL28103577 | 0.87 | CCNA2 (0.52) | GRM5CCNA2CDK2CDK1CDK4 | |
| SCHEMBL28103506 | 0.86 | PTGS2 (0.45) | GRM5PTGS2LMNAALDH1A1NPY5R | |
| SCHEMBL28315052 | 0.86 | GRM5 (0.53) | GRM5PTGS2CCNA2CDK2LMNA |
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-106146479-B | A kind of effective compound and the preparation method and application thereof inhibited or kill multiple drug resistant bacteria | 清华大学 | 2019-07-12 | — | — | CN | disclosed |
| CN-106146479-A | A kind of effective suppression or the compound killing multiple drug resistant bacteria and preparation method and application | 清华大学 | 2016-11-23 | — | — | CN | disclosed |