Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28103545 | 1.00 | PTGS2 (0.45) | PTGS2GRM5NPY5RATMALDH1A1 | |
| SCHEMBL28103540 | 1.00 | PTGS2 (0.45) | PTGS2GRM5NPY5RATMALDH1A1 | |
| SCHEMBL28103563 | 0.87 | GRM5 (0.53) | PTGS2GRM5NPY5RALDH1A1LMNA | |
| SCHEMBL28103506 | 0.87 | PTGS2 (0.45) | PTGS2GRM5NPY5RATMALDH1A1 | |
| SCHEMBL28315052 | 0.87 | GRM5 (0.53) | PTGS2GRM5NPY5RALDH1A1LMNA | |
| SCHEMBL28103862 | 0.86 | PTGS2 (0.57) | PTGS2GRM5NPY5RATMALDH1A1 | |
| SCHEMBL28103867 | 0.84 | GRM5 (0.47) | PTGS2GRM5ALDH1A1LMNACXCR5 | |
| SCHEMBL28103871 | 0.84 | GRM5 (0.47) | PTGS2GRM5ALDH1A1LMNACXCR5 | |
| SCHEMBL28103600 | 0.84 | PTGS2 (0.43) | PTGS2GRM5NPY5RATMCHRNA7 | |
| SCHEMBL28315124 | 0.82 | PTGS2 (0.45) | PTGS2GRM5NPY5RATMCHRNA7 |
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 |