Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | GPR183 | P32249 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 5/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28819250 | 0.87 | RAB9A (0.54) | ALDH1A1KMT2ARAB9AGPR183PKM | |
| SCHEMBL28819258 | 0.85 | CYP1A1 (0.45) | ALDH1A1MAPTMEN1KMT2ACAPN1 | |
| SCHEMBL28819249 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MAPTMEN1KMT2AMAPK1 | |
| SCHEMBL28819259 | 0.83 | GPR183 (0.44) | ALDH1A1MAPTMEN1KMT2AMAPK1 | |
| SCHEMBL28819227 | 0.71 | L3MBTL1 (0.55) | ALDH1A1MAPTMEN1KMT2AGPR183 | |
| SCHEMBL28838366 | 0.70 | MAPT (0.67) | ALDH1A1MAPTMEN1KMT2ARAB9A | |
| SCHEMBL28819245 | 0.70 | LMNA (0.52) | ALDH1A1MAPTMEN1KMT2AGPR183 | |
| SCHEMBL28819241 | 0.69 | LMNA (0.48) | ALDH1A1GPR183PKMLMNASMN1; SMN2 | |
| SCHEMBL28819252 | 0.68 | ALDH1A1 (0.76) | ALDH1A1KMT2ARAB9AGPR183PKM | |
| SCHEMBL28360809 | 0.66 | CAPN1 (0.85) | ALDH1A1MAPTMEN1KMT2AMAPK1 |
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 |