Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 5/20 | 0.71 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.54 |
| ▸ | CDK2 | P24941 | 3/20 | 0.53 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.53 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.53 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| 6-Benzylaminopurine SCHEMBL8018971 | 0.86 | CYP1A2 (0.52) | CDK1CDK2CCNB2CCNB1CCNB3 | |
| Purine SCHEMBL8023282 | 0.85 | CDK1 (0.49) | CDK1TMIGD3ADORA2AADORA1CDK2 | |
| Purine SCHEMBL8018841 | 0.85 | CDK1 (0.70) | CDK1TMIGD3ADORA2AADORA1CDK2 | |
| SCHEMBL4382069 | 0.84 | CDK1 (1.00) | CDK1TMIGD3ADORA2AADORA1CDK2 | |
| Purine SCHEMBL17443008 | 0.80 | CDK1 (0.46) | CDK1CDK2CCNB2CCNB1CCNB3 | |
| SCHEMBL28162237 | 0.77 | CDK1 (0.60) | CDK1TMIGD3ADORA2AADORA1CDK2 | |
| 6-Benzylaminopurine SCHEMBL29772173 | 0.76 | LMNA (0.62) | CDK1TMIGD3ADORA2AADORA1CDK2 | |
| 6-Benzylaminopurine SCHEMBL28824679 | 0.76 | LMNA (0.62) | CDK1TMIGD3ADORA2AADORA1CDK2 | |
| 6-Benzylaminopurine SCHEMBL37357 | 0.76 | LMNA (0.62) | CDK1TMIGD3ADORA2AADORA1CDK2 | |
| 6-Benzylaminopurine SCHEMBL11477799 | 0.75 | LMNA (0.61) | CDK1TMIGD3ADORA2AADORA1CDK2 |
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 |