Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | ALB | P02768 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | ABL1 | P00519 | 2/20 | 0.52 |
| ▸ | RIN1 | Q13671 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29318369 | 0.88 | YTHDC1 (0.59) | ALDH1A1LMNAALBMAPK1ABL1 | |
| SCHEMBL2041441 | 0.88 | YTHDC1 (0.59) | ALDH1A1LMNAALBMAPK1ABL1 | |
| SCHEMBL23982425 | 0.87 | ABL1 (0.66) | ABL1RIN1 | |
| SCHEMBL2036287 | 0.86 | ALDH1A1 (0.55) | ALDH1A1LMNAALBMAPK1ABL1 | |
| SCHEMBL9589274 | 0.85 | ALDH1A1 (0.54) | ALDH1A1LMNAALBMAPK1ABL1 | |
| SCHEMBL9589282 | 0.85 | ALDH1A1 (0.54) | ALDH1A1LMNAALBMAPK1ABL1 | |
| SCHEMBL9587631 | 0.85 | ALDH1A1 (0.54) | ALDH1A1LMNAALBMAPK1ABL1 | |
| SCHEMBL22452225 | 0.85 | TSHR (0.64) | — | |
| SCHEMBL13312947 | 0.85 | TSHR (0.64) | — | |
| SCHEMBL23998782 | 0.85 | ABL1 (0.54) | ALDH1A1LMNAALBMAPK1ABL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3988560-A1 | SMALL-MOLECULE COMPOUND HAVING A2A ADENOSINE RECEPTOR ANTAGONISM | Academy Of Military Medical Sciences (CN) | 2022-04-27 | — | — | EP | disclosed |
| WO-2020253867-A1 | SMALL-MOLECULE COMPOUND HAVING A2A ADENOSINE RECEPTOR ANTAGONISM | 中国人民解放军军事科学院军事医学研究院 | 2020-12-24 | — | — | WO | disclosed |
| WO-2018133854-A1 | ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2018-07-26 | — | — | WO | disclosed |