Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28515369 | 1.00 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL30285381 | 0.86 | NFE2L2 (0.53) | ALDH1A1MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL28360476 | 0.86 | NFE2L2 (0.53) | ALDH1A1MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL28511276 | 0.86 | NFE2L2 (0.53) | ALDH1A1MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL28360339 | 0.84 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AHPGDL3MBTL1 | |
| SCHEMBL28498837 | 0.84 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AHPGDL3MBTL1 | |
| SCHEMBL13902572 | 0.81 | ALDH1A1 (0.66) | ALDH1A1MEN1KMT2AMAPTHPGD | |
| SCHEMBL28499018 | 0.78 | KMT2A (0.54) | ALDH1A1MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL28499016 | 0.78 | KMT2A (0.54) | ALDH1A1MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL21877489 | 0.77 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2AMAPTHPGD |
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-112047905-A | Method for synthesizing 1, 5-diketone compound by air oxidation of dienone | 浙江工业大学 | 2020-12-08 | — | — | CN | disclosed |