Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | CCR5 | P51681 | 4/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.51 |
| ▸ | USP25 | Q9UHP3 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30124921 | 1.00 | SMPD1 (0.59) | SMPD1HDAC1HDAC8HDAC6CCR5 | |
| SCHEMBL2060462 | 1.00 | SMPD1 (0.59) | SMPD1HDAC1HDAC8HDAC6CCR5 | |
| SCHEMBL1447864 | 0.93 | SLC6A4 (0.59) | SMPD1HDAC1HDAC8HDAC6CCR5 | |
| SCHEMBL30504080 | 0.93 | SLC6A4 (0.59) | SMPD1HDAC1HDAC8HDAC6CCR5 | |
| SCHEMBL31644088 | 0.90 | SLC6A4 (0.66) | CCR5SLC6A4ALDH1A1RAB9AMAOB | |
| SCHEMBL368071 | 0.90 | SLC6A4 (0.66) | CCR5SLC6A4ALDH1A1RAB9AMAOB | |
| SCHEMBL15726115 | 0.84 | SLC6A4 (0.54) | SMPD1HDAC1HDAC8HDAC6CCR5 | |
| SCHEMBL21042791 | 0.83 | SLC6A4 (0.53) | SMPD1HDAC1HDAC8HDAC6CCR5 | |
| SCHEMBL20456336 | 0.83 | SLC6A4 (0.53) | SMPD1HDAC1HDAC8HDAC6CCR5 | |
| SCHEMBL2060386 | 0.82 | MAPK1 (0.63) | SMPD1HDAC1HDAC8HDAC6ALDH1A1 |
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-115403456-B | Method for synthesizing Edwan sweet intermediate 3-hydroxy-4-methoxy phenylpropionaldehyde | 成都大学 | 2023-11-17 | — | — | CN | disclosed |