Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 9/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SLC29A1 | Q99808 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13467468 | 0.88 | NPC1 (0.48) | SLC29A1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL12579985 | 0.87 | PAX8 (0.51) | CDK1PAX8SLC29A1NPC1RAB9A | |
| SCHEMBL20626279 | 0.85 | SLC29A1 (0.47) | AURKARPS6KB1AURKBPDE5AMAPT | |
| SCHEMBL20626278 | 0.85 | SLC29A1 (0.47) | AURKARPS6KB1AURKBPDE5AMAPT | |
| SCHEMBL14714122 | 0.85 | SLC29A1 (0.47) | AURKARPS6KB1AURKBPDE5AMAPT | |
| SCHEMBL14714087 | 0.84 | ADORA3 (0.60) | SLC29A1ADORA3 | |
| SCHEMBL9587879 | 0.82 | ADORA3 (0.46) | ALDH1A1ADORA3 | |
| SCHEMBL14714082 | 0.82 | SLC29A1 (0.47) | SLC29A1RXFP1ADORA3 | |
| Methyl Alcohol SCHEMBL9587418 | 0.81 | ADORA3 (0.46) | ALDH1A1ADORA3 | |
| SCHEMBL14713459 | 0.80 | SLC29A1 (0.48) | AURKARPS6KB1AURKBPDE5AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2511283-A1 | N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF | INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2012-10-17 | — | — | EP | disclosed |