Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | OTUD7B | Q6GQQ9 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 2/20 | 0.34 |
| ▸ | MMP10 | P09238 | 1/20 | 0.34 |
| ▸ | SCN4A | P35499 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19627312 | 0.78 | MEN1 (0.51) | MEN1KMT2ATACR1MMP3MMP1 | |
| SCHEMBL6962020 | 0.78 | HTR2C (0.40) | SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL28122539 | 0.77 | MEN1 (0.50) | MEN1KMT2ATACR1MMP3MMP1 | |
| SCHEMBL25011701 | 0.76 | HDAC6 (0.41) | MEN1KMT2AOTUD7BFFAR4SCN9A | |
| SCHEMBL5475877 | 0.76 | TACR1 (0.50) | MEN1KMT2AOTUD7BTACR1SLC6A2 | |
| SCHEMBL12369419 | 0.75 | HTR2C (0.35) | — | |
| Hydrochloric Acid SCHEMBL2272245 | 0.74 | OPRM1 (0.34) | SLC6A2SLC6A4 | |
| SCHEMBL23325192 | 0.73 | BDKRB1 (0.42) | MEN1KMT2ATACR1KCNH2P2RY1 | |
| SCHEMBL29531771 | 0.73 | BDKRB1 (0.42) | MEN1KMT2ATACR1KCNH2P2RY1 | |
| SCHEMBL5440106 | 0.72 | GRIN1 (0.47) | KMT2AOTUD7BKCNH2SLC6A2SLC6A4 |
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-2021083328-A1 | POLYSUBSTITUTED ISOINDOLINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 中国科学院上海药物研究所 | 2021-05-06 | — | — | WO | disclosed |