Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | GNPAT | O15228 | 1/20 | 0.56 |
| ▸ | MME | P08473 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.45 |
| ▸ | CPA1 | P15085 | 2/20 | 0.43 |
| ▸ | CPA2 | P48052 | 2/20 | 0.43 |
| ▸ | CPA4 | Q9UI42 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29112234 | 1.00 | ALDH1A1 (0.68) | ALDH1A1GNPATMMEMEN1LMNA | |
| SCHEMBL17948650 | 0.90 | ALDH1A1 (0.85) | ALDH1A1GNPATMMEMEN1LMNA | |
| SCHEMBL5551895 | 0.90 | ALDH1A1 (0.85) | ALDH1A1GNPATMMEMEN1LMNA | |
| SCHEMBL5551897 | 0.90 | ALDH1A1 (0.85) | ALDH1A1GNPATMMEMEN1LMNA | |
| SCHEMBL22862417 | 0.88 | GNPAT (0.69) | ALDH1A1GNPATMMEMAPTKDM4E | |
| SCHEMBL29503850 | 0.87 | MME (0.54) | ALDH1A1GNPATMMEMEN1LMNA | |
| SCHEMBL14008770 | 0.86 | ALDH1A1 (0.63) | ALDH1A1GNPATMMEMEN1LMNA | |
| SCHEMBL29371683 | 0.85 | MME (0.53) | ALDH1A1GNPATMMEMEN1LMNA | |
| SCHEMBL30916038 | 0.85 | MME (0.55) | ALDH1A1GNPATMMEMEN1LMNA | |
| SCHEMBL29802241 | 0.84 | BACE1 (0.53) | ALDH1A1GNPATFOLH1 |
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-111995658-B | LDV (laser direct structuring) modified pentacyclic piperazinedione and preparation and application thereof | 首都医科大学 | 2022-08-02 | — | — | CN | disclosed |