Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRM | P19623 | 4/20 | 0.52 |
| ▸ | SMS | P52788 | 2/20 | 0.52 |
| ▸ | AHCY | P23526 | 2/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ADA | P00813 | 4/20 | 0.40 |
| ▸ | PDE2A | O00408 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10563077 | 0.81 | SRM (0.53) | SRMSMSADORA2AADORA1PI4KA | |
| SCHEMBL11474105 | 0.73 | AHCY (0.76) | AHCYADORA2AADORA1ALDH1A1PI4KA | |
| SCHEMBL10878427 | 0.70 | ADORA2A (0.65) | AHCYADORA2AADORA1ALDH1A1CYP3A4 | |
| SCHEMBL38913 | 0.70 | ADORA2A (0.70) | ADORA2AADORA1ALDH1A1PI4KAPI4K2B | |
| SCHEMBL16603993 | 0.70 | AHCY (0.85) | AHCYADORA2AADORA1ALDH1A1CYP3A4 | |
| SCHEMBL1740528 | 0.69 | ADORA2A (0.66) | AHCYADORA2AADORA1ALDH1A1ADA | |
| SCHEMBL28068456 | 0.69 | AHCY (0.78) | AHCYADORA2AADORA1ALDH1A1CYP3A4 | |
| SCHEMBL4906617 | 0.69 | ADORA2A (0.72) | ADORA2AADORA1ALDH1A1PI4KAPI4K2B | |
| SCHEMBL6040056 | 0.69 | ADORA2A (0.75) | AHCYADORA2AADORA1ALDH1A1CYP3A4 | |
| SCHEMBL16504492 | 0.68 | ADORA2A (0.74) | AHCYADORA2AADORA1ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4803272-A | S-modified adenosyl-1,8-diamino-3-thiooctane derivatives | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-02-07 | — | — | US | disclosed |