Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 6/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 3/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21708864 | 0.89 | HTR2A (0.33) | ACHEMTNR1AHTR2AMAPTHTR2C | |
| SCHEMBL21709263 | 0.85 | HTR2A (0.42) | ACHEHTR2AHTR2C | |
| SCHEMBL21708858 | 0.78 | HTR2A (0.42) | HTR2AMAOBHTR2C | |
| SCHEMBL21709148 | 0.75 | ACHE (0.35) | ACHEHTR2AMAOBHTR2CMAOA | |
| SCHEMBL21709163 | 0.75 | ACHE (0.37) | ACHEHTR2A | |
| SCHEMBL21709052 | 0.75 | ACHE (0.43) | ACHE | |
| SCHEMBL21708853 | 0.73 | BCHE (0.36) | MAPTMAOB | |
| SCHEMBL21708904 | 0.70 | KDM1A (0.37) | PGK1MAOBMAOA | |
| SCHEMBL21709146 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL21708877 | 0.68 | HTR2A (0.39) | HTR2AMAPTMAOB |
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 |