Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 2/20 | 0.45 |
| ▸ | NT5E | P21589 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.41 |
| ▸ | PI4KA | P42356 | 2/20 | 0.41 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.41 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | AHCY | P23526 | 1/20 | 0.39 |
| ▸ | SRM | P19623 | 3/20 | 0.39 |
| ▸ | SMS | P52788 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.38 |
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 | 0.80 | SRM (0.53) | ENPP1NT5EADORA2AADORA1PI4KA | |
| SCHEMBL11247503 | 0.77 | ENPP1 (0.60) | ENPP1NT5EADORA2AADORA1PI4KA | |
| SCHEMBL20096700 | 0.72 | ADORA2A (0.64) | ENPP1NT5EADORA2AADORA1PI4KA | |
| SCHEMBL10566016 | 0.71 | ENPP1 (0.59) | ENPP1NT5EADORA2AADORA1PI4KA | |
| SCHEMBL2293269 | 0.71 | ADORA2A (0.66) | ENPP1NT5EADORA2AADORA1PI4KA | |
| SCHEMBL20096689 | 0.71 | ADORA2A (0.66) | ENPP1NT5EADORA2AADORA1PI4KA | |
| SCHEMBL5065704 | 0.71 | ADORA2A (0.59) | ENPP1NT5EADORA2AADORA1PI4KA | |
| SCHEMBL38913 | 0.71 | ADORA2A (0.70) | ADORA2AADORA1PI4KAPI4K2BPI4K2A | |
| SCHEMBL28967127 | 0.70 | ADORA2A (0.51) | ENPP1NT5EADORA2AADORA1PI4KA | |
| SCHEMBL25306268 | 0.70 | ENPP1 (0.61) | ENPP1NT5EADORA2AADORA1PI4KA |
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 |