Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CCR1 | P32246 | 3/20 | 0.46 |
| ▸ | CCR5 | P51681 | 3/20 | 0.46 |
| ▸ | CCR8 | P51685 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1770226 | 0.85 | EDNRA (0.50) | EDNRAKDM4ELMNACCR1CCR5 | |
| SCHEMBL1667127 | 0.81 | EDNRA (0.49) | EDNRAKDM4ELMNACCR1CCR5 | |
| SCHEMBL5010922 | 0.81 | KDM4E (0.52) | EDNRAKDM4ELMNACCR1CCR5 | |
| SCHEMBL29967288 | 0.81 | EDNRA (0.49) | EDNRAKDM4ELMNACCR1CCR5 | |
| SCHEMBL1205852 | 0.81 | EDNRA (0.52) | EDNRAKDM4ELMNACCR1CCR5 | |
| SCHEMBL1770318 | 0.81 | EDNRA (0.41) | EDNRAKDM4ELMNACCR1CCR5 | |
| SCHEMBL8936373 | 0.81 | EDNRA (0.47) | EDNRABLMTRPV4TDP1ALDH1A1 | |
| SCHEMBL10629026 | 0.80 | EDNRA (0.48) | EDNRAKDM4ELMNACCR1CCR5 | |
| SCHEMBL7127239 | 0.77 | ALDH1A1 (0.48) | KDM4ELMNAPOLBBLMTRPV4 | |
| SCHEMBL8697589 | 0.75 | ALOX5AP (0.47) | EDNRAKDM4ELMNACCR1CCR5 |
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-115385862-B | Pyrimidine thioether compound containing sulfonate structure and preparation method and application thereof | 贵州大学 | 2023-03-28 | — | — | CN | disclosed |
| CN-115385862-A | Pyrimidine thioether compound containing sulfonate structure as well as preparation method and application thereof | 贵州大学 | 2022-11-25 | — | — | CN | disclosed |