Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.36 |
| ▸ | CLK1 | P49759 | 2/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | CLK3 | P49761 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25097019 | 0.79 | CYP1A2 (0.38) | CYP1A2KMT2ADYRK1ACLK1CLK2 | |
| SCHEMBL20687488 | 0.78 | KMT2A (0.35) | CYP1A2KMT2AMAPK13MAPK12MAPK11 | |
| SCHEMBL18544258 | 0.77 | CYP1A2 (0.40) | CYP1A2KMT2AMAPK13MAPK12MAPK11 | |
| SCHEMBL2461286 | 0.75 | POLB (0.36) | CYP1A2KMT2AMAPK13MAPK12MAPK11 | |
| Hydrochloric Acid SCHEMBL20563346 | 0.74 | MTNR1A (0.38) | KMT2AMTNR1AMTNR1B | |
| SCHEMBL18544287 | 0.74 | PTGS2 (0.37) | CYP1A2KMT2AMTNR1AMTNR1BPOLB | |
| SCHEMBL2172807 | 0.74 | KMT2A (0.37) | CYP1A2KMT2AMAPK13MAPK12MAPK11 | |
| SCHEMBL18544275 | 0.74 | CYP11B2 (0.33) | — | |
| SCHEMBL17543401 | 0.74 | CYP1A2 (0.37) | CYP1A2KMT2AMAPK13MAPK12MAPK11 | |
| SCHEMBL2819275 | 0.70 | PTGS2 (0.37) | CYP1A2KMT2AMTNR1AMTNR1BPOLB |
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-2017029602-A2 | COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-02-23 | — | — | WO | disclosed |