Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAX8 | Q06710 | 1/20 | 0.51 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.47 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.47 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.46 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.46 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | SLC29A1 | Q99808 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13467264 | 0.87 | AURKA (0.46) | PAX8CDK1ADORA3TSHRALDH1A1 | |
| SCHEMBL13467468 | 0.87 | NPC1 (0.48) | ADORA3CYP3A4TSHRNFKB1BLM | |
| SCHEMBL20626494 | 0.85 | SLC29A1 (0.47) | PAX8CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL20626496 | 0.85 | SLC29A1 (0.47) | PAX8CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL14714116 | 0.85 | SLC29A1 (0.47) | PAX8CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL9587879 | 0.81 | ADORA3 (0.46) | PRKAG1PRKAA1PRKAB1ADORA3ADORA1 | |
| SCHEMBL2002143 | 0.80 | NPC1 (0.64) | PAX8CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL14713445 | 0.80 | SLC29A1 (0.48) | PAX8CCNB2CDK1CCNB1CCNB3 | |
| Methyl Alcohol SCHEMBL9587418 | 0.80 | ADORA3 (0.46) | PRKAG1PRKAA1PRKAB1ADORA3ADORA1 | |
| SCHEMBL13467481 | 0.80 | PRKAG1 (0.47) | PAX8CCNB2CDK1CCNB1CCNB3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011069294-A1 | N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF | 中国医学科学院药物研究所 (CN) | 2011-06-16 | — | — | WO | disclosed |