Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | PRKCI | P41743 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | S100B | P04271 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 9/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL2472187 | 0.90 | ALDH1A1 (0.50) | ALDH1A1TDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL3825706 | 0.82 | HSPA5 (0.53) | ALDH1A1TDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL15488864 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL710621 | 0.80 | TSHR (0.50) | ALDH1A1TDP1L3MBTL1MAPK1TSHR | |
| SCHEMBL1600055 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TDP1L3MBTL1MAPK1CYP3A4 | |
| Hydrochloric Acid SCHEMBL16087335 | 0.78 | TSHR (0.48) | ALDH1A1TDP1L3MBTL1MAPK1TSHR | |
| SCHEMBL22939652 | 0.78 | SMN1; SMN2 (0.66) | ALDH1A1TDP1L3MBTL1MAPK1TSHR | |
| SCHEMBL4632526 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL29740082 | 0.75 | S100B (0.63) | ALDH1A1TDP1L3MBTL1MAPK1TSHR | |
| SCHEMBL11011080 | 0.75 | S100B (0.63) | ALDH1A1TDP1L3MBTL1MAPK1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3689346-A1 | 3,6-DISUBSTITUTED XANTHYLIUM SALTS | WisTa Laboratories Ltd. (SG) | 2020-08-05 | — | — | EP | disclosed |
| WO-2010067078-A2 | 3,6-DISUBSTITUTED XANTHYLIUM SALTS AS MEDICAMENTS | WISTA LABORATORIES LTD. (SG) | 2010-06-17 | — | — | WO | disclosed |