Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4780301 | 0.77 | ALDH1A1 (0.54) | APLNRALDH1A1POLBTSHRMEN1 | |
| SCHEMBL18655396 | 0.75 | ALDH1A1 (0.47) | APLNRALDH1A1POLBTSHRMEN1 | |
| SCHEMBL783785 | 0.74 | APLNR (1.00) | APLNRALDH1A1HTR2AHTR2CTSHR | |
| SCHEMBL7768853 | 0.71 | APLNR (0.86) | APLNRALDH1A1HTR2AHTR2CTSHR | |
| SCHEMBL12522890 | 0.70 | APLNR (0.83) | APLNRALDH1A1HTR2AHTR2CTSHR | |
| SCHEMBL680457 | 0.70 | APLNR (0.76) | APLNRHTR2AHTR2CTSHRMEN1 | |
| SCHEMBL29485595 | 0.70 | APLNR (0.76) | APLNRHTR2AHTR2CTSHRMEN1 | |
| SCHEMBL27166666 | 0.69 | APLNR (0.56) | APLNRALDH1A1HTR2AHTR2CTSHR | |
| SCHEMBL6099643 | 0.69 | APLNR (0.80) | APLNRALDH1A1HTR2AHTR2CTSHR | |
| SCHEMBL18062276 | 0.69 | CHRM2 (0.53) | ALDH1A1POLBMEN1KMT2ADPP7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3281942-A1 | B-LACTAMASE INHIBITOR AND APPLICATION THEREOF | Xuanzhu Pharma Co., Ltd. (CN) | 2018-02-14 | — | — | EP | disclosed |
| WO-2017167218-A1 | ANTIBACTERIAL COMPOSITION AND USE THEREOF | 山东轩竹医药科技有限公司 | 2017-10-05 | — | — | WO | disclosed |