Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.57 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | P4HB | P07237 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28103865 | 0.91 | PTGS2 (0.43) | PTGS2ALDH1A1SMN1; SMN2LMNACXCR5 | |
| SCHEMBL28315052 | 0.90 | GRM5 (0.53) | PTGS2GRM5NPY5RALDH1A1SMN1; SMN2 | |
| SCHEMBL28103563 | 0.90 | GRM5 (0.53) | PTGS2GRM5NPY5RALDH1A1SMN1; SMN2 | |
| SCHEMBL28103506 | 0.90 | PTGS2 (0.45) | PTGS2GRM5NPY5RALDH1A1SMN1; SMN2 | |
| SCHEMBL28315124 | 0.89 | PTGS2 (0.45) | PTGS2GRM5NPY5RATMCYP2C9 | |
| SCHEMBL28315030 | 0.89 | PTGS2 (0.45) | PTGS2GRM5NPY5RATMCYP2C9 | |
| SCHEMBL28103867 | 0.89 | GRM5 (0.47) | PTGS2GRM5ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28103871 | 0.89 | GRM5 (0.47) | PTGS2GRM5ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28103889 | 0.89 | PTGS2 (0.45) | PTGS2GRM5ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28103545 | 0.86 | PTGS2 (0.45) | PTGS2GRM5NPY5RALDH1A1SMN1; SMN2 |
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 |