Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.35 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.31 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 2/20 | 0.31 |
| ▸ | IGF1R | P08069 | 2/20 | 0.31 |
| ▸ | FLT4 | P35916 | 2/20 | 0.31 |
| ▸ | KDR | P35968 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708936 | 0.82 | HTR6 (0.42) | HTR6LTB4RLTB4R2POLBMAPT | |
| SCHEMBL21708941 | 0.75 | ADRB2 (0.46) | HTR6POLBMAPTNPSR1MTNR1A | |
| SCHEMBL21693977 | 0.72 | MTNR1A (0.42) | HTR6POLBMAPTNPSR1MTNR1A | |
| Hydrochloric Acid SCHEMBL21693927 | 0.71 | MTNR1A (0.41) | HTR6POLBMAPTNPSR1MTNR1A | |
| SCHEMBL21708905 | 0.67 | HTR6 (0.39) | HTR6MAPTMAOAMAOBPLA2G2A | |
| SCHEMBL17469273 | 0.61 | POLB (0.46) | POLBMAPTNPSR1MTNR1AMAOA | |
| SCHEMBL16629671 | 0.61 | CYP19A1 (0.47) | EGFRIGF1RFLT4KDR | |
| SCHEMBL21709087 | 0.59 | EGFR (0.42) | HTR6MAPTNPSR1PLA2G2AEGFR | |
| SCHEMBL24733324 | 0.58 | PLOD2 (0.55) | — | |
| Hydrochloric Acid SCHEMBL21693918 | 0.58 | EGFR (0.43) | HTR6MAPTNPSR1PLA2G2AEGFR |
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-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |