Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP3 | P08254 | 2/20 | 0.44 |
| ▸ | MMP8 | P22894 | 2/20 | 0.44 |
| ▸ | MMP13 | P45452 | 2/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7266878 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KMT2AMAPTNPC1MAPK1 | |
| SCHEMBL5998957 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KMT2AMAPTNPC1MAPK1 | |
| SCHEMBL29740352 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KMT2AMAPTNPC1MAPK1 | |
| SCHEMBL5998953 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KMT2AMAPTNPC1MAPK1 | |
| SCHEMBL5997028 | 0.87 | KMT2A (0.49) | ALDH1A1KMT2AMAPTMAPK1RAB9A | |
| SCHEMBL5997717 | 0.87 | KMT2A (0.49) | ALDH1A1KMT2AMAPTMAPK1RAB9A | |
| SCHEMBL5997034 | 0.87 | KMT2A (0.49) | ALDH1A1KMT2AMAPTMAPK1RAB9A | |
| SCHEMBL5999165 | 0.87 | KMT2A (0.41) | ALDH1A1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL5999170 | 0.87 | KMT2A (0.41) | ALDH1A1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL5999168 | 0.87 | KMT2A (0.41) | ALDH1A1KMT2AMAPTNPC1RAB9A |
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-115057796-A | Intermediates for optically active beta-hydroxy esters | 焦作健康元生物制品有限公司 | 2022-09-16 | — | — | CN | disclosed |
| CN-106811491-B | Preparation method of optically active beta-hydroxy ester compound and intermediate thereof | 焦作健康元生物制品有限公司 | 2022-07-19 | — | — | CN | disclosed |