Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNMT1 | P26358 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.37 |
| ▸ | IARS1 | P41252 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | LARS1 | Q9P2J5 | 1/20 | 0.35 |
| ▸ | NT5E | P21589 | 3/20 | 0.35 |
| ▸ | SARS1 | P49591 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | VCP | P55072 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.34 |
| ▸ | MARS1 | P56192 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL12418522 | 0.68 | RXFP1 (0.41) | ADORA1ALDH1A1CYP3A4NFKB1BLM | |
| SCHEMBL13625690 | 0.66 | BLM (0.44) | DNMT1ADORA3ADORA1LARS1NT5E | |
| SCHEMBL14393620 | 0.66 | BLM (0.44) | DNMT1ADORA3ADORA1LARS1NT5E | |
| SCHEMBL13625720 | 0.65 | BLM (0.45) | DNMT1ADORA3ADORA1NT5ESARS1 | |
| SCHEMBL14393416 | 0.65 | BLM (0.45) | DNMT1ADORA3ADORA1NT5ESARS1 | |
| SCHEMBL13623793 | 0.65 | BLM (0.48) | ALDH1A1MEN1LMNACYP3A4NFKB1 | |
| SCHEMBL14393325 | 0.65 | SARS1 (0.40) | DNMT1ADORA3IARS1ADORA1LARS1 | |
| SCHEMBL12374009 | 0.65 | SARS1 (0.40) | DNMT1ADORA3IARS1ADORA1LARS1 | |
| SCHEMBL14393328 | 0.64 | MEN1 (0.40) | ADORA3IARS1ADORA1LARS1SARS1 | |
| SCHEMBL3478702 | 0.64 | MEN1 (0.40) | ADORA3IARS1ADORA1LARS1SARS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7605143-B2 | 2-propynyl adenosine analogs with modified 5′-ribose groups having A2A agonist activity | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2009-10-20 | — | — | US | disclosed |
| US-7576069-B2 | 2-polycyclic propynyl adenosine analogs having A2A agonist activity | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2009-08-18 | — | — | US | disclosed |