Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 9/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.37 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.37 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.37 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.37 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.37 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.37 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.37 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL22011035 | 0.81 | LOXL2 (0.37) | CA2MAOALOXL2MAOBNR1I3 | |
| SCHEMBL21963707 | 0.81 | CA2 (0.39) | CA2NR1I3CYP3A4 | |
| SCHEMBL21964002 | 0.76 | GAA (0.39) | CA2MAOAEGFRATP1A1ATP1B1 | |
| SCHEMBL22010747 | 0.74 | ESR1 (0.38) | CA2GAANR1I3MAPTKMT2A | |
| SCHEMBL6454090 | 0.73 | MAOA (0.46) | MAOAEGFRATP1A1ATP1B1ATP1A3 | |
| SCHEMBL24923419 | 0.73 | MAOA (0.35) | MAOAEGFRATP1A1ATP1B1ATP1A3 | |
| SCHEMBL21964000 | 0.72 | MAOA (0.37) | MAOAEGFRATP1A1ATP1B1ATP1A3 | |
| Hydrochloric Acid SCHEMBL21964032 | 0.71 | CA2 (0.60) | CA2MAOANR1I3MEN1CYP1A2 | |
| SCHEMBL28610377 | 0.70 | MAOA (0.43) | MAOAEGFRATP1A1ATP1B1ATP1A3 | |
| SCHEMBL21963791 | 0.70 | MTNR1B (0.40) | MAOA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020099341-A1 | ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF | DEBIOPHARM INTERNATIONAL S.A. (CH) | 2020-05-22 | — | — | WO | disclosed |