Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.52 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 5/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | ABL1 | P00519 | 3/20 | 0.45 |
| ▸ | BCR | P11274 | 3/20 | 0.45 |
| ▸ | TTR | P02766 | 3/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.45 |
| ▸ | TUBB | P07437 | 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 | |
|---|---|---|---|---|
| SCHEMBL28499018 | 1.00 | KMT2A (0.54) | KMT2AMEN1ALDH1A1RECQLCYP1A1 | |
| SCHEMBL30285207 | 0.86 | NCOA1 (0.58) | KMT2AMEN1ALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL28363703 | 0.86 | NCOA1 (0.58) | KMT2AMEN1ALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL28363701 | 0.86 | NCOA1 (0.58) | KMT2AMEN1ALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL28360167 | 0.85 | ALDH1A1 (0.54) | KMT2AMEN1ALDH1A1RECQLCYP1A1 | |
| SCHEMBL28360165 | 0.85 | ALDH1A1 (0.54) | KMT2AMEN1ALDH1A1RECQLCYP1A1 | |
| SCHEMBL13902572 | 0.79 | ALDH1A1 (0.66) | KMT2AMEN1ALDH1A1NPC1MAPT | |
| SCHEMBL28515367 | 0.78 | ALDH1A1 (0.57) | KMT2AMEN1ALDH1A1PTGS2PTGS1 | |
| SCHEMBL28515369 | 0.78 | ALDH1A1 (0.57) | KMT2AMEN1ALDH1A1PTGS2PTGS1 | |
| SCHEMBL21877489 | 0.74 | ALDH1A1 (0.60) | KMT2AMEN1ALDH1A1NPC1MAPT |
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 |