Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | CDK1 | P06493 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.42 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Purine SCHEMBL8018841 | 0.87 | CDK1 (0.70) | CYP1A2CYP2D6TSHRMAPK1LMNA | |
| Purine SCHEMBL8023282 | 0.87 | CDK1 (0.49) | CYP1A2CYP2D6TSHRMAPK1LMNA | |
| SCHEMBL8011473 | 0.84 | CDK1 (0.63) | CYP1A2CYP2D6TSHRMAPK1LMNA | |
| 6-Benzylaminopurine SCHEMBL8018975 | 0.82 | LMNA (0.79) | CYP1A2CYP2D6TSHRMAPK1LMNA | |
| Purine SCHEMBL28232569 | 0.74 | CDK2 (0.54) | CYP1A2CYP2D6TSHRMAPK1LMNA | |
| Purine SCHEMBL8018839 | 0.71 | CDK1 (0.71) | CYP1A2CYP2D6TSHRMAPK1LMNA | |
| SCHEMBL29835993 | 0.71 | CDK1 (0.52) | CYP1A2CYP2D6TSHRMAPK1LMNA | |
| Purine SCHEMBL17443010 | 0.71 | CDK1 (0.43) | CYP1A2CYP2D6MAPK1CDK2CDK1 | |
| SCHEMBL27409168 | 0.70 | CDK1 (0.44) | CYP1A2CYP2D6TSHRMAPK1LMNA | |
| 6-Benzylaminopurine SCHEMBL37358 | 0.70 | LMNA (1.00) | CYP1A2CYP2D6TSHRMAPK1LMNA |
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-2000033657-A1 | METHOD TO IDENTIFY REGULATORS OF CDK ACTIVITY | CROPDESIGN N.V. (BE) | 2000-06-15 | — | — | WO | disclosed |