Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 6/20 | 0.41 |
| ▸ | GABBR1 | Q9UBS5 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28830505 | 1.00 | GABBR2 (0.41) | GABBR2GABBR1LMNATSHRCYP2C9 | |
| SCHEMBL27733585 | 0.85 | SLC6A2 (0.42) | GABBR2GABBR1LMNATSHRCYP2C9 | |
| SCHEMBL11854392 | 0.83 | SLC6A2 (0.43) | GABBR2GABBR1LMNATSHRCYP2C9 | |
| SCHEMBL1155162 | 0.83 | GABBR2 (0.48) | GABBR2GABBR1LMNATSHRCYP2C9 | |
| SCHEMBL11861186 | 0.82 | NR1I2 (0.45) | LMNASMN1; SMN2 | |
| SCHEMBL657128 | 0.80 | GABBR2 (0.41) | GABBR2GABBR1LMNATSHRCYP2C9 | |
| SCHEMBL28830455 | 0.80 | CHRNA7 (0.39) | LMNASMN1; SMN2TDP1 | |
| SCHEMBL6338292 | 0.80 | GABBR2 (0.49) | GABBR2GABBR1LMNATSHRCYP2C9 | |
| SCHEMBL28830511 | 0.80 | HTR2A (0.34) | CYP1A2KMT2AMEN1 | |
| SCHEMBL11854403 | 0.80 | ESR1 (0.46) | GABBR2GABBR1LMNATSHRCYP2C9 |
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-114957304-B | Chiral 1, 5-diborane compound and synthetic method and application thereof | 浙江大学 | 2024-06-21 | — | — | CN | disclosed |
| CN-114957304-A | Chiral 1, 5-diborane compound and synthesis method and application thereof | 浙江大学 | 2022-08-30 | — | — | CN | disclosed |