Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 12/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1746181 | 0.81 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3HTR2AADRB2 | |
| SCHEMBL5323661 | 0.81 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3HTR2AADRB2 | |
| SCHEMBL4457615 | 0.81 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3HTR2AADRB2 | |
| SCHEMBL29291192 | 0.81 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3HTR2AADRB2 | |
| SCHEMBL15795818 | 0.80 | BRD4 (0.39) | SLC6A2SLC6A4SLC6A3BRD4 | |
| Hydrochloric Acid SCHEMBL10511614 | 0.79 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3HTR2AADRB2 | |
| SCHEMBL28128821 | 0.79 | CHEK1 (0.36) | SLC6A2SLC6A4SLC6A3HTR2AADRB2 | |
| SCHEMBL10511691 | 0.78 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3HTR2AADRB2 | |
| SCHEMBL49736 | 0.78 | — | — | |
| SCHEMBL20878692 | 0.78 | — | — |
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 |