Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.58 |
| ▸ | PKM | P14618 | 8/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | GPR183 | P32249 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL28819252 | 0.86 | ALDH1A1 (0.76) | ALDH1A1PKMSMN1; SMN2GPR183LMNA | |
| SCHEMBL28819236 | 0.84 | GPR183 (0.62) | ALDH1A1PKMSMN1; SMN2GPR183LMNA | |
| SCHEMBL28819231 | 0.84 | GPR183 (0.62) | ALDH1A1PKMGPR183LMNA | |
| SCHEMBL28819256 | 0.84 | PKM (0.67) | ALDH1A1PKMSMN1; SMN2GPR183LMNA | |
| SCHEMBL28819260 | 0.84 | PKM (0.53) | ALDH1A1PKMGPR183HSD17B10LMNA | |
| SCHEMBL28819248 | 0.83 | ALDH1A1 (0.43) | ALDH1A1PKMSMN1; SMN2GPR183HSD17B10 | |
| SCHEMBL28819228 | 0.82 | PKM (0.53) | ALDH1A1PKMGPR183HSD17B10LMNA | |
| SCHEMBL28819261 | 0.82 | GPR183 (0.52) | ALDH1A1PKMSMN1; SMN2GPR183LMNA | |
| SCHEMBL28819240 | 0.74 | PKM (0.81) | ALDH1A1PKMSMN1; SMN2GPR183LMNA | |
| SCHEMBL28819253 | 0.70 | LMNA (0.79) | ALDH1A1PKMSMN1; SMN2GPR183LMNA |
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 |