Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.55 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.53 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.53 |
| ▸ | MAPKAPK5 | Q8IW41 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.49 |
| ▸ | HTR1D | P28221 | 1/20 | 0.49 |
| ▸ | HTR1B | P28222 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30363083 | 1.00 | MAPKAPK2 (0.55) | MAPKAPK2SIRT1MAPTALDH1A1HTR2B | |
| SCHEMBL30363250 | 0.96 | MAPKAPK2 (0.56) | MAPKAPK2SIRT1MAPTALDH1A1HTR2B | |
| SCHEMBL30363189 | 0.96 | MAPKAPK2 (0.56) | MAPKAPK2SIRT1MAPTALDH1A1HTR2B | |
| SCHEMBL30363194 | 0.84 | SIRT1 (0.52) | SIRT1 | |
| SCHEMBL30363129 | 0.84 | SIRT1 (0.52) | SIRT1 | |
| SCHEMBL29002762 | 0.84 | SIRT1 (0.52) | SIRT1 | |
| SCHEMBL11352715 | 0.84 | MAPKAPK2 (0.55) | MAPKAPK2SIRT1MAPTALDH1A1HTR2B | |
| SCHEMBL30363096 | 0.81 | HTR2A (0.53) | MAPKAPK2SIRT1MAPTSMN1; SMN2 | |
| SCHEMBL30363172 | 0.81 | HTR2A (0.53) | MAPKAPK2SIRT1MAPTSMN1; SMN2 | |
| SCHEMBL8039623 | 0.81 | SIRT1 (0.56) | MAPKAPK2SIRT1MAPTALDH1A1HTR2B |
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-113755552-B | Synthesis method of chiral fused ring tetrahydroisoquinoline alkaloid and analogue thereof | 中国科学院天津工业生物技术研究所 | 2023-04-18 | — | — | CN | disclosed |