Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 5/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | NEK2 | P51955 | 2/20 | 0.40 |
| ▸ | CDK1 | P06493 | 2/20 | 0.40 |
| ▸ | CDK7 | P50613 | 2/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | LYN | P07948 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL1292905 | 0.85 | ATM (0.45) | CDK2CYP3A4TSHRHSD17B10MAPT | |
| Purine SCHEMBL28164598 | 0.82 | ALDH1A1 (0.44) | CDK2CYP1A2CYP3A4CHEK1AURKA | |
| Purine SCHEMBL2120554 | 0.82 | ALDH1A1 (0.47) | CDK2CYP1A2CYP3A4MAPK1CHEK1 | |
| Purine SCHEMBL6421380 | 0.82 | ALDH1A1 (0.47) | CDK2CYP1A2CYP3A4MAPK1CHEK1 | |
| Purine SCHEMBL30862524 | 0.82 | — | — | |
| Purine SCHEMBL3158 | 0.82 | — | — | |
| Purine SCHEMBL29365913 | 0.82 | — | — | |
| Purine SCHEMBL29703771 | 0.82 | ALDH1A1 (0.47) | CDK2CYP1A2CYP3A4MAPK1CHEK1 | |
| Purine SCHEMBL18011849 | 0.82 | CDK2 (0.42) | CDK2CYP1A2CYP2D6TSHRMAPK1 | |
| Purine SCHEMBL712798 | 0.80 | ALDH1A1 (0.45) | CDK2CYP1A2CYP3A4MAPK1CDK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102260263-A | Diphenylamine purine derivatives, and preparation method and medicinal application thereof | — | 2011-11-30 | — | — | CN | disclosed |
| CN-102260263-A | Diphenylamine purine derivatives, and preparation method and medicinal application thereof | — | 2011-11-30 | — | — | CN | disclosed |