Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 3/20 | 0.35 |
| ▸ | LCK | P06239 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.33 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.33 |
| ▸ | F10 | P00742 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PDE9A | O76083 | 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 | |
|---|---|---|---|---|
| SCHEMBL16763877 | 0.88 | PARP1 (0.38) | PARP1LCKJAK3EGFRHTR2C | |
| SCHEMBL16763874 | 0.88 | PARP1 (0.38) | PARP1LCKJAK3EGFRHTR2C | |
| Hydrochloric Acid SCHEMBL21855144 | 0.86 | PARP1 (0.37) | PARP1LCKJAK3EGFRHTR2C | |
| SCHEMBL20986376 | 0.81 | HTR2C (0.39) | PARP1NPY5RHTR2CHTR2B | |
| SCHEMBL20986373 | 0.81 | HTR2C (0.39) | PARP1NPY5RHTR2CHTR2B | |
| SCHEMBL16786083 | 0.81 | HTR2C (0.39) | PARP1NPY5RHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL16764419 | 0.79 | HTR2C (0.39) | PARP1NPY5RHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL16764417 | 0.79 | HTR2C (0.39) | PARP1NPY5RHTR2CHTR2B | |
| Trifluoroacetic Acid SCHEMBL31613316 | 0.78 | PARP1 (0.37) | PARP1SLC6A1SLC6A11TSHRLMNA | |
| SCHEMBL27175872 | 0.75 | PARP1 (0.36) | PARP1PIM1PIM2HTR2CHTR2B |
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-115003304-A | Bifunctional compounds for the degradation of BTK via the ubiquitin proteasome pathway | 纽力克斯治疗公司 | 2022-09-02 | — | — | CN | disclosed |