Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29531771 | 1.00 | BDKRB1 (0.42) | BDKRB1SIGMAR1SLC6A2SLC6A4KCNH2 | |
| SCHEMBL624675 | 0.87 | BDKRB1 (0.44) | BDKRB1MEN1KMT2AP2RY1SLC6A3 | |
| SCHEMBL8188193 | 0.85 | BDKRB1 (0.43) | BDKRB1SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL2288483 | 0.82 | BDKRB1 (0.43) | BDKRB1MEN1KMT2AHDAC6BACE1 | |
| SCHEMBL615237 | 0.81 | SIGMAR1 (0.60) | SIGMAR1CYP2D6KMT2AHTR2CUSP2 | |
| Hydrochloric Acid SCHEMBL1266534 | 0.79 | SIGMAR1 (0.59) | SIGMAR1CYP2D6KMT2AHTR2CUSP2 | |
| Bromide SCHEMBL2276225 | 0.79 | SIGMAR1 (0.59) | SIGMAR1CYP2D6KMT2AHTR2CUSP2 | |
| SCHEMBL11484577 | 0.78 | SLC6A2 (0.47) | SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5726943 | 0.78 | ADRA1D (0.41) | BDKRB1SLC6A2SLC6A4TACR1HTR2C | |
| SCHEMBL615034 | 0.77 | OPRM1 (0.37) | BDKRB1SIGMAR1SLC6A2SLC6A4HTR2C |
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 |