Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.50 |
| ▸ | APLNR | P35414 | 1/20 | 0.50 |
| ▸ | CCR6 | P51684 | 1/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.47 |
| ▸ | CDK2 | P24941 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | RARA | P10276 | 2/20 | 0.45 |
| ▸ | RARB | P10826 | 2/20 | 0.45 |
| ▸ | RARG | P13631 | 2/20 | 0.45 |
| ▸ | RXRA | P19793 | 2/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 1/20 | 0.45 |
| ▸ | CCNH | P51946 | 1/20 | 0.45 |
| ▸ | PHGDH | O43175 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28103507 | 1.00 | ALDH1A1 (0.50) | ALDH1A1LMNASMN1; SMN2CXCR5APLNR | |
| SCHEMBL28103553 | 0.89 | CCNA2 (0.52) | ALDH1A1LMNASMN1; SMN2CXCR5APLNR | |
| SCHEMBL28103577 | 0.89 | CCNA2 (0.52) | ALDH1A1LMNASMN1; SMN2CXCR5APLNR | |
| SCHEMBL28103551 | 0.89 | CCNA2 (0.52) | ALDH1A1LMNASMN1; SMN2CXCR5APLNR | |
| SCHEMBL28103871 | 0.87 | GRM5 (0.47) | ALDH1A1LMNASMN1; SMN2CXCR5APLNR | |
| SCHEMBL28103867 | 0.87 | GRM5 (0.47) | ALDH1A1LMNASMN1; SMN2CXCR5APLNR | |
| SCHEMBL28103563 | 0.85 | GRM5 (0.53) | ALDH1A1LMNASMN1; SMN2CXCR5APLNR | |
| SCHEMBL28315052 | 0.85 | GRM5 (0.53) | ALDH1A1LMNASMN1; SMN2CXCR5APLNR | |
| SCHEMBL28103527 | 0.84 | PHGDH (0.48) | ALDH1A1LMNASMN1; SMN2CXCR5APLNR | |
| SCHEMBL28103865 | 0.83 | PTGS2 (0.43) | ALDH1A1LMNASMN1; SMN2CXCR5APLNR |
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 |