Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 3/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16494602 | 0.85 | HTT (0.48) | MAPTTDP1MAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11419017 | 0.85 | PARP1 (0.47) | PARP1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL7968434 | 0.83 | MRGPRX4 (0.49) | MAPTTDP1KMT2AALDH1A1KDM4E | |
| SCHEMBL6175216 | 0.80 | SLC6A2 (0.57) | PARP1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL17811367 | 0.79 | ALDH1A1 (0.51) | MAPTTDP1LCKKMT2AALDH1A1 | |
| SCHEMBL3679397 | 0.79 | GSK3B (0.35) | SLC6A2SLC6A4SLC6A3MAPTTDP1 | |
| SCHEMBL28752739 | 0.79 | PARP1 (0.42) | PARP1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL11845552 | 0.77 | PGK1 (0.55) | PARP1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL18502198 | 0.77 | CA12 (0.56) | MAPTMAPK1KMT2AALDH1A1KDM4E | |
| SCHEMBL13636371 | 0.77 | HPGD (0.43) | PARP1SLC6A2SLC6A4SLC6A3KCNH2 |
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-115216003-A | Star-shaped quaternary sulfonium antibacterial polyamino acid material and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2022-10-21 | — | — | CN | disclosed |