Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | NEK2 | P51955 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | EDNRA | P25101 | 8/20 | 0.38 |
| ▸ | F2 | P00734 | 3/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30096384 | 0.75 | CA2 (0.46) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL8720110 | 0.71 | CHEK1 (0.65) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL10067121 | 0.69 | CYP1A2 (0.53) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL22238739 | 0.69 | TYMS (0.32) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL23920892 | 0.68 | CHEK1 (0.44) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL25150315 | 0.67 | MAPT (0.39) | TDP1L3MBTL1ATMALDH1A1MAPT | |
| SCHEMBL15889291 | 0.66 | CYP1A2 (0.54) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL25149411 | 0.66 | KMT2A (0.38) | TDP1L3MBTL1KMT2AGAAALDH1A1 | |
| SCHEMBL25150323 | 0.66 | L3MBTL1 (0.37) | CYP1A2CYP2C19TDP1L3MBTL1GAA | |
| SCHEMBL30364576 | 0.66 | L3MBTL1 (0.37) | CYP1A2CYP2C19TDP1L3MBTL1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023063884-A2 | GENERATION OF CHIRAL SULFINATE ESTERS | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2023-04-20 | — | — | WO | disclosed |