Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL386476 | 0.96 | ALDH1A1 (0.68) | ALDH1A1MMP1MMP2MMP3MMP9 | |
| SCHEMBL28746563 | 0.93 | ALDH1A1 (0.54) | ALDH1A1MMP1MMP2MMP3MMP9 | |
| SCHEMBL181910 | 0.89 | MMP1 (0.45) | ALDH1A1MMP1MMP2MMP3MMP9 | |
| SCHEMBL8366458 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MMP1MMP2MMP3MMP9 | |
| SCHEMBL8164252 | 0.84 | ALDH1A1 (0.88) | ALDH1A1TDP1LMNACES2CES1 | |
| SCHEMBL8164255 | 0.84 | ALDH1A1 (0.88) | ALDH1A1TDP1LMNACES2CES1 | |
| SCHEMBL181996 | 0.84 | ALDH1A1 (0.88) | ALDH1A1TDP1LMNACES2CES1 | |
| SCHEMBL17322482 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MMP1MMP2MMP3MMP9 | |
| SCHEMBL739850 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MMP1MMP2MMP3MMP9 | |
| SCHEMBL28122277 | 0.82 | ALDH1A1 (0.41) | ALDH1A1MMP1MMP2MMP3MMP9 |
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-104744256-B | Prepare 2-(alkoxyalkylene)-3-oxo carboxylic acid ester, the method for pyrimidine compound and the ferrum purposes as catalyst | 北京乐威泰克医药技术有限公司 | 2017-01-04 | — | — | CN | claimed |