Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 7/20 | 0.46 |
| ▸ | HTR2A | P28223 | 7/20 | 0.42 |
| ▸ | HTR2C | P28335 | 6/20 | 0.42 |
| ▸ | HTR2B | P41595 | 4/20 | 0.42 |
| ▸ | HTR1D | P28221 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | HTR1E | P28566 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HTR5A | P47898 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709092 | 0.80 | HTR2C (0.57) | HTR1AHTR2AHTR2CHTR2BHTR1D | |
| SCHEMBL21709099 | 0.77 | HTR2A (0.46) | HTR1AHTR2AHTR2CHTR2BHTR1D | |
| SCHEMBL25057123 | 0.74 | HTR1D (0.71) | HTR1AHTR2AHTR2CHTR2BHTR1D | |
| SCHEMBL26989208 | 0.72 | HTR1A (0.66) | HTR1AHTR2AHTR2CHTR2BHTR1D | |
| SCHEMBL21709097 | 0.72 | HTR1D (0.45) | HTR1AHTR2AHTR2CHTR2BHTR1D | |
| SCHEMBL32669315 | 0.67 | HTR1A (0.67) | HTR1AHTR2AHTR2CHTR2BHTR1D | |
| SCHEMBL26185608 | 0.65 | HTR2A (0.68) | HTR1AHTR2AHTR2CHTR2BHTR1D | |
| SCHEMBL25057107 | 0.65 | HTR1D (0.55) | HTR1AHTR2AHTR2CHTR2BHTR1D | |
| SCHEMBL29633120 | 0.65 | HTR1A (0.82) | HTR1AHTR2AHTR2CHTR2BHTR1D | |
| SCHEMBL20970980 | 0.65 | HTR1A (0.82) | HTR1AHTR2AHTR2CHTR2BHTR1D |
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 |