Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL29287462 | 0.89 | MAPT (0.47) | GAAMAPTNPC1MAPK1RAB9A | |
| SCHEMBL7832893 | 0.87 | ROCK1 (0.46) | ROCK1DRD2GAAMTNR1AMTNR1B | |
| SCHEMBL28762184 | 0.81 | ROCK1 (0.48) | ROCK1DRD2GAAMTNR1AMTNR1B | |
| SCHEMBL23579413 | 0.79 | ROCK1 (0.46) | ROCK1DRD2GAAMTNR1AMTNR1B | |
| SCHEMBL2061656 | 0.79 | ADRA2A (0.46) | DRD2MAPTGRIN1GRIN2BRAB9A | |
| SCHEMBL14827764 | 0.79 | GAA (0.47) | ROCK1DRD2GAAMTNR1AMTNR1B | |
| SCHEMBL29974269 | 0.79 | ROCK1 (0.46) | ROCK1DRD2GAAMTNR1AMTNR1B | |
| SCHEMBL1990819 | 0.79 | ROCK1 (0.46) | ROCK1DRD2GAAMTNR1AMTNR1B | |
| SCHEMBL2462174 | 0.77 | MAPT (0.57) | ROCK1DRD2GAAMTNR1AMTNR1B | |
| SCHEMBL8177410 | 0.77 | DRD2 (0.49) | DRD2MAPTGRIN2BMAPK1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112574273-B | Triterpenoid with anti-fibrosis function and preparation method thereof | 中国医学科学院药用植物研究所 | 2021-09-10 | — | — | CN | disclosed |
| CN-112574273-A | Triterpenoid with anti-fibrosis function and preparation method thereof | 中国医学科学院药用植物研究所 | 2021-03-30 | — | — | CN | disclosed |