Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 13/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21708877 | 0.88 | HTR2A (0.39) | HTR2ATAAR1MAOB | |
| SCHEMBL21709091 | 0.79 | TAAR1 (0.53) | HTR2ATAAR1HTR2C | |
| SCHEMBL21708853 | 0.78 | BCHE (0.36) | MAOB | |
| SCHEMBL21708876 | 0.78 | ACHE (0.34) | HTR2AMAOBHTR2C | |
| SCHEMBL26011914 | 0.78 | HTR2A (0.61) | HTR2ATAAR1HTR2C | |
| SCHEMBL21709157 | 0.73 | HTR2A (0.40) | HTR2ATAAR1MAOBLOXL2HTR2C | |
| SCHEMBL21709104 | 0.73 | HTR1A (0.45) | HTR2ATAAR1HTR2CHTR2B | |
| SCHEMBL21709153 | 0.72 | TAAR1 (0.36) | HTR2ATAAR1MAOBHTR2CHTR2B | |
| SCHEMBL30182916 | 0.71 | TAAR1 (0.61) | HTR2ATAAR1HTR2CHTR2B | |
| SCHEMBL27229035 | 0.71 | TAAR1 (0.61) | HTR2ATAAR1HTR2CHTR2B |
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 |