Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 3/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | SAT1 | P21673 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 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 | 0.83 | HTR2A (0.33) | ACHEMAOAHTR2AHTR2C | |
| SCHEMBL21709263 | 0.78 | HTR2A (0.42) | ACHEHTR2AHTR2C | |
| SCHEMBL21709190 | 0.77 | HMGCR (0.40) | — | |
| SCHEMBL21708876 | 0.75 | ACHE (0.34) | ACHEMAOAMAOBHTR2AHTR2C | |
| SCHEMBL21708917 | 0.74 | ACHE (0.39) | ACHEMAOASAT1 | |
| SCHEMBL21709146 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL21709102 | 0.73 | KDM4E (0.42) | MPOHTR2AHTR2C | |
| SCHEMBL21708855 | 0.71 | MAPT (0.61) | ACHEHTR2A | |
| Hydrochloric Acid SCHEMBL21693933 | 0.70 | KDM4E (0.62) | ACHEHTR2A | |
| SCHEMBL21709150 | 0.70 | CA12 (0.39) | MAOAMAOB |
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 |