Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 12/20 | 0.43 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.34 |
| ▸ | CDK2 | P24941 | 3/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.34 |
| ▸ | PIM1 | P11309 | 2/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL27536633 | 0.82 | IDH1 (0.43) | IDH1CCR6CCNA2CDK2CCNA1 | |
| SCHEMBL27513025 | 0.79 | CCNA2 (0.43) | IDH1CCR6CCNA2CDK2CCNA1 | |
| SCHEMBL17221384 | 0.76 | KCNJ1 (0.43) | IDH1PIM1GRM5 | |
| SCHEMBL9964663 | 0.76 | DGAT1 (0.40) | IDH1PIM1GRM5 | |
| SCHEMBL17229262 | 0.75 | IDH1 (0.39) | IDH1PIM1 | |
| SCHEMBL14923656 | 0.74 | GRIN2D (0.41) | IDH1PIM1GRM5 | |
| SCHEMBL411695 | 0.73 | AKR1C3 (0.46) | IDH1PIM1GRM5 | |
| SCHEMBL13424162 | 0.73 | IDH1 (0.38) | IDH1PIM1GRM5 | |
| SCHEMBL2645587 | 0.73 | MAP4K1 (0.39) | IDH1PIM1GRM5 | |
| SCHEMBL17232492 | 0.72 | HRH3 (0.38) | IDH1PIM1GRM5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1252070-A | 5,7-disubstituted 4-aminopyrido [2,3,-d] pyrimidine compounds and their use as adenosine kinase inhibitors | ABBOTT LAB (US) | 2000-05-03 | — | — | CN | disclosed |