Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 17/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4457610 | 0.82 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3KCNH2MLNR | |
| SCHEMBL27978405 | 0.79 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3KCNH2MLNR | |
| SCHEMBL20773892 | 0.78 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3KCNH2MLNR | |
| SCHEMBL49735 | 0.78 | — | — | |
| SCHEMBL197401 | 0.78 | — | — | |
| SCHEMBL28128822 | 0.78 | SSTR4 (0.39) | SLC6A2SLC6A4SLC6A3KCNH2MLNR | |
| SCHEMBL11572913 | 0.77 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3KCNH2MLNR | |
| SCHEMBL12206944 | 0.77 | — | — | |
| SCHEMBL12206943 | 0.77 | — | — | |
| SCHEMBL516648 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106967066-B | Novel ss-lactam enzyme inhibitor and preparation method thereof | 明治制果药业株式会社 | 2019-07-30 | — | — | CN | disclosed |
| CN-105859609-B | Beta-lactamase inhibitor and preparation method thereof | 明治制果药业株式会社 | 2019-04-09 | — | — | CN | disclosed |
| CN-106967066-A | New beta lactamase restrainer and preparation method thereof | 明治制果药业株式会社 | 2017-07-21 | — | — | CN | disclosed |
| CN-104334559-B | Beta-lactamase inhibitor and preparation method thereof | 明治制果药业株式会社 | 2017-03-22 | — | — | CN | disclosed |
| CN-105859609-A | Beta-lactamase inhibitor and process for preparing the same | 明治制果药业株式会社 | 2016-08-17 | — | — | CN | disclosed |