Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28218990 | 0.78 | HTT (0.42) | SMN1; SMN2ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL10798580 | 0.77 | SMN1; SMN2 (0.47) | TAAR1SMN1; SMN2ALDH1A1PNMTSLC6A2 | |
| SCHEMBL10939079 | 0.75 | SMN1; SMN2 (0.46) | TAAR1SMN1; SMN2ALDH1A1PNMTSLC6A2 | |
| SCHEMBL31448641 | 0.74 | SMN1; SMN2 (0.40) | TAAR1SMN1; SMN2ALDH1A1PNMTSLC6A2 | |
| SCHEMBL8951899 | 0.72 | CYP1A2 (0.48) | TAAR1ALDH1A1IDO1 | |
| SCHEMBL7816199 | 0.72 | SMN1; SMN2 (0.46) | TAAR1SMN1; SMN2ALDH1A1PNMTENPP1 | |
| Methylamine SCHEMBL27625991 | 0.71 | PNMT (0.50) | TAAR1SMN1; SMN2ALDH1A1PNMTSLC6A2 | |
| Methylamine SCHEMBL28112781 | 0.70 | PNMT (0.55) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27930519 | 0.70 | FABP3 (0.41) | SMN1; SMN2PTGS2LMNAPOLB | |
| SCHEMBL20108554 | 0.70 | FABP4 (0.53) | ALDH1A1PTGS2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105085427-B | Benzo [ d ] isoxazole compound and application thereof | 中国科学院广州生物医药与健康研究院 | 2018-06-05 | — | — | CN | disclosed |