Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 2/20 | 0.40 |
| ▸ | ALB | P02768 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28895632 | 0.82 | TTR (0.42) | TTRALBMEN1KMT2AVCAM1 | |
| SCHEMBL24017200 | 0.80 | MMP3 (0.58) | TSHRMMP3ALDH1A1CYP2A6CA12 | |
| SCHEMBL1543177 | 0.78 | TSHR (0.55) | CLK4TSHRALDH1A1 | |
| Cyanide SCHEMBL11880265 | 0.76 | TTR (0.46) | TTRALBMEN1KMT2AVCAM1 | |
| SCHEMBL60145 | 0.75 | TTR (0.50) | TTRALBMEN1KMT2AVCAM1 | |
| SCHEMBL491404 | 0.75 | AHR (0.48) | TSHRMMP3GRM5ALDH1A1PGR | |
| SCHEMBL13606452 | 0.75 | GRM5 (0.53) | GRM5PGR | |
| SCHEMBL17775874 | 0.73 | PTPN5 (0.49) | MEN1KMT2ACLK4TSHRPGR | |
| SCHEMBL18411439 | 0.73 | GABRA1 (0.49) | CLK4TSHRGRM5 | |
| SCHEMBL18411464 | 0.73 | GABRA1 (0.49) | CLK4TSHRGRM5 |
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-115286555-A | Synthetic method of 3-alkynylselendole compound | 温州医科大学 | 2022-11-04 | — | — | CN | disclosed |