Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709087 | 0.73 | EGFR (0.42) | TAAR1HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL21693918 | 0.72 | EGFR (0.43) | TAAR1HTR2AHTR2C | |
| SCHEMBL21709100 | 0.71 | MEN1 (0.33) | HTR2A | |
| SCHEMBL8758848 | 0.69 | HTR2A (0.55) | HTR2A | |
| SCHEMBL21709092 | 0.67 | HTR2C (0.57) | TAAR1HTR2AHTR2C | |
| SCHEMBL21708941 | 0.64 | ADRB2 (0.46) | — | |
| SCHEMBL21709095 | 0.63 | HTR1A (0.31) | TAAR1HTR2AHTR2C | |
| SCHEMBL30681597 | 0.62 | HTR2C (0.70) | TAAR1HTR2AHTR2C | |
| SCHEMBL14801810 | 0.60 | CHEK1 (0.37) | HTR2A | |
| SCHEMBL30681642 | 0.60 | HTR2C (0.61) | TAAR1HTR2AHTR2C |
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 |