Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 1/20 | 0.54 |
| ▸ | FEN1 | P39748 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3507027 | 0.86 | HDAC3 (0.55) | ERCC5FEN1HDAC3GAAALDH1A1 | |
| SCHEMBL16501821 | 0.86 | ERCC5 (0.61) | ERCC5FEN1HDAC3GAAALDH1A1 | |
| SCHEMBL11859621 | 0.83 | ERCC5 (0.57) | ERCC5FEN1HDAC3KMT2AHPGD | |
| SCHEMBL1531620 | 0.81 | GAA (0.57) | ERCC5FEN1HDAC3GAAALDH1A1 | |
| SCHEMBL7730588 | 0.81 | ERCC5 (0.51) | ERCC5FEN1HDAC3GAAALDH1A1 | |
| SCHEMBL7124763 | 0.81 | ERCC5 (0.62) | ERCC5FEN1GAAALDH1A1KMT2A | |
| SCHEMBL25222615 | 0.80 | GAA (0.59) | ERCC5FEN1HDAC3GAAALDH1A1 | |
| SCHEMBL4373141 | 0.80 | GAA (0.59) | ERCC5FEN1HDAC3GAAALDH1A1 | |
| SCHEMBL4382929 | 0.80 | GAA (0.59) | ERCC5FEN1HDAC3GAAALDH1A1 | |
| SCHEMBL18825687 | 0.80 | GAA (0.59) | ERCC5FEN1HDAC3GAAALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776293-B | Method for preparing 1, 3-diketone compound from alkynone | 温州大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-109776293-A | A method of 1,3- cyclohexadione compounds are prepared with acetylenic ketone | 温州大学 | 2019-05-21 | — | — | CN | disclosed |