Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | GPR183 | P32249 | 6/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28819261 | 0.92 | GPR183 (0.52) | PKMALDH1A1GPR183POLBLMNA | |
| SCHEMBL28819231 | 0.91 | GPR183 (0.62) | PKMALDH1A1GPR183POLBLMNA | |
| SCHEMBL28819256 | 0.90 | PKM (0.67) | PKMALDH1A1GPR183POLBLMNA | |
| SCHEMBL28819236 | 0.90 | GPR183 (0.62) | PKMALDH1A1GPR183POLBLMNA | |
| SCHEMBL28819228 | 0.88 | PKM (0.53) | PKMALDH1A1GPR183POLBLMNA | |
| SCHEMBL28819229 | 0.85 | PKM (0.59) | PKMALDH1A1GPR183LMNATDP1 | |
| SCHEMBL28819249 | 0.84 | ALDH1A1 (0.58) | PKMALDH1A1GPR183LMNATDP1 | |
| SCHEMBL28819258 | 0.84 | CYP1A1 (0.45) | ALDH1A1GPR183CYP1A1CYP1B1LMNA | |
| SCHEMBL28819240 | 0.80 | PKM (0.81) | PKMALDH1A1GPR183POLBLMNA | |
| SCHEMBL28819242 | 0.78 | LMNA (0.58) | PKMALDH1A1GPR183LMNAGAA |
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-114634465-A | Sulfonyl piperazine-containing pentadiene ketone derivative and preparation method and application thereof | 贵州大学 | 2022-06-17 | — | — | CN | disclosed |