Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LGALS9 | O00182 | 2/20 | 0.35 |
| ▸ | LGALS1 | P09382 | 2/20 | 0.35 |
| ▸ | LGALS3 | P17931 | 2/20 | 0.35 |
| ▸ | LGALS7; LGALS7B | P47929 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7744297 | 1.00 | LGALS9 (0.35) | LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1 | |
| SCHEMBL7743883 | 0.80 | ALDH1A1 (0.36) | LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1 | |
| SCHEMBL29602084 | 0.79 | LGALS9 (0.33) | LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1 | |
| SCHEMBL28945305 | 0.72 | CES1 (0.37) | ALDH1A1MAPK1HIF1ATRPA1GSK3B | |
| SCHEMBL9458212 | 0.72 | CES1 (0.44) | ALDH1A1MAPK1HIF1ATRPA1GSK3B | |
| SCHEMBL5547202 | 0.71 | SLC28A1 (0.43) | MEN1CYP3A4KMT2A | |
| Hydrochloric Acid SCHEMBL28792392 | 0.71 | CES2 (0.36) | ALDH1A1MAPK1HIF1ATRPA1GSK3B | |
| SCHEMBL9767733 | 0.70 | CES1 (0.42) | ALDH1A1MAPK1HIF1ATRPA1GSK3B | |
| SCHEMBL9767728 | 0.70 | CES1 (0.42) | ALDH1A1MAPK1HIF1ATRPA1GSK3B | |
| SCHEMBL22490904 | 0.70 | LGALS9 (0.44) | LGALS9LGALS1LGALS3LGALS7; LGALS7BALDH1A1 |
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-0708781-B1 | A 3 ADENOSINE RECEPTOR AGONISTS | USA (US) | 2001-10-04 | — | — | EP | disclosed |
| EP-0708781-A1 | A 3 ADENOSINE RECEPTOR AGONISTS | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 1996-05-01 | — | — | EP | disclosed |