Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | MARK3 | P27448 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL3260370 | 0.87 | XDH (0.39) | ALDH1A1ADORA3AGTR1AGTR2 | |
| SCHEMBL4566029 | 0.86 | XDH (0.41) | ALDH1A1HPGD | |
| SCHEMBL4927108 | 0.84 | ALDH1A1 (0.35) | ALDH1A1ADORA3AURKACDK2HTT | |
| SCHEMBL2555553 | 0.77 | ALDH1A1 (0.33) | ALDH1A1KDM4E | |
| SCHEMBL7491917 | 0.72 | ADORA3 (0.31) | ALDH1A1JAK2ROCK2PIM1GSK3B | |
| SCHEMBL11066168 | 0.70 | PDK2 (0.35) | ALDH1A1PDK2HPGDPDK4KDM4E | |
| SCHEMBL479504 | 0.70 | CYP1A2 (0.37) | ALDH1A1JAK2ROCK2AURKADAPK3 | |
| SCHEMBL9983243 | 0.69 | S1PR1 (0.32) | — | |
| SCHEMBL9982977 | 0.69 | HTR2C (0.47) | JAK2ROCK2PIM1GSK3BAURKA | |
| SCHEMBL3181459 | 0.69 | PDK2 (0.38) | ALDH1A1PDK2AURKACDK2HTT |
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-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | disclosed |