Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 7/20 | 0.44 |
| ▸ | IGF1R | P08069 | 7/20 | 0.44 |
| ▸ | FLT4 | P35916 | 7/20 | 0.44 |
| ▸ | KDR | P35968 | 7/20 | 0.44 |
| ▸ | HTR6 | P50406 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | HTR1B | P28222 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.35 |
| ▸ | CASR | P41180 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
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 | 0.83 | HTR6 (0.42) | EGFRIGF1RFLT4KDRHTR6 | |
| SCHEMBL21693977 | 0.83 | MTNR1A (0.42) | ADRB2HTR6POLBMAPTNPSR1 | |
| Hydrochloric Acid SCHEMBL21693927 | 0.82 | MTNR1A (0.41) | ADRB2EGFRIGF1RFLT4KDR | |
| SCHEMBL21709087 | 0.79 | EGFR (0.42) | ADRB2EGFRIGF1RFLT4KDR | |
| Hydrochloric Acid SCHEMBL21693918 | 0.78 | EGFR (0.43) | ADRB2EGFRIGF1RFLT4KDR | |
| SCHEMBL8758848 | 0.76 | HTR2A (0.55) | HTR6POLBMAPT | |
| SCHEMBL21709108 | 0.75 | HTR6 (0.38) | EGFRIGF1RFLT4KDRHTR6 | |
| SCHEMBL12790242 | 0.74 | HTR6 (0.55) | ADRB2EGFRIGF1RFLT4KDR | |
| SCHEMBL12790246 | 0.72 | HTR6 (0.57) | ADRB2EGFRIGF1RFLT4KDR | |
| SCHEMBL14801810 | 0.72 | CHEK1 (0.37) | ADRB2HTR6POLBHTR1D |
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 |