Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.57 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 2/20 | 0.49 |
| ▸ | HTR2B | P41595 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL267087 | 0.82 | TAAR1 (0.72) | TAAR1AOC3CHRM2CHRM1CHRM3 | |
| SCHEMBL555038 | 0.76 | AOC3 (0.66) | TAAR1AOC3CHRM2CHRM1CHRM3 | |
| SCHEMBL14668122 | 0.76 | CHRM2 (0.59) | TAAR1AOC3CHRM2CHRM1CHRM3 | |
| SCHEMBL11484811 | 0.76 | BCHE (0.62) | HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL21002162 | 0.75 | TAAR1 (0.71) | TAAR1AOC3CHRM2CHRM1CHRM3 | |
| SCHEMBL29986862 | 0.75 | TAAR1 (0.71) | TAAR1AOC3CHRM2CHRM1CHRM3 | |
| SCHEMBL21002016 | 0.75 | TAAR1 (0.71) | TAAR1AOC3CHRM2CHRM1CHRM3 | |
| (S)-M-Methoxyamphetamine SCHEMBL11461072 | 0.74 | TAAR1 (1.00) | TAAR1HTR2AHTR2CHTR2BIDO1 | |
| (S)-M-Methoxyamphetamine SCHEMBL3293027 | 0.74 | TAAR1 (1.00) | TAAR1HTR2AHTR2CHTR2BIDO1 | |
| (S)-M-Methoxyamphetamine SCHEMBL30813013 | 0.74 | TAAR1 (1.00) | TAAR1HTR2AHTR2CHTR2BIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3030555-B1 | NOVEL PYRAZINE AMIDE COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2019-01-30 | — | — | EP | disclosed |