Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 5/20 | 0.59 |
| ▸ | GPR183 | P32249 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | FAAH | O00519 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28819233 | 0.92 | GPR183 (0.62) | ALDH1A1KMT2AHSP90AA1PKMGPR183 | |
| SCHEMBL28948647 | 0.88 | PKM (0.76) | ALDH1A1KMT2APKMGPR183SMN1; SMN2 | |
| SCHEMBL28819229 | 0.85 | PKM (0.59) | ALDH1A1KMT2APKMGPR183SMN1; SMN2 | |
| SCHEMBL28819228 | 0.85 | PKM (0.53) | ALDH1A1KMT2AHSP90AA1PKMGPR183 | |
| SCHEMBL28713319 | 0.84 | GPR183 (0.57) | ALDH1A1KMT2AHSP90AA1PKMGPR183 | |
| SCHEMBL28819253 | 0.84 | LMNA (0.79) | ALDH1A1KMT2APKMGPR183SMN1; SMN2 | |
| SCHEMBL28716458 | 0.81 | KEAP1 (0.66) | ALDH1A1KMT2AHSP90AA1PKMSMN1; SMN2 | |
| SCHEMBL28819252 | 0.80 | ALDH1A1 (0.76) | ALDH1A1KMT2APKMGPR183SMN1; SMN2 | |
| SCHEMBL28819240 | 0.80 | PKM (0.81) | ALDH1A1KMT2APKMGPR183SMN1; SMN2 | |
| SCHEMBL28819254 | 0.80 | GPR183 (0.70) | ALDH1A1KMT2APKMGPR183SMN1; SMN2 |
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 |