Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.59 |
| ▸ | CDK2 | P24941 | 1/20 | 0.59 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KIT | P10721 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | ROS1 | P08922 | 1/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6923124 | 0.95 | CDK1 (0.53) | CDK1CDK2MAPK14HTTALDH1A1 | |
| SCHEMBL6824305 | 0.88 | MAPK14 (0.48) | CDK1CDK2MAPK14HTTPOLB | |
| SCHEMBL6821420 | 0.88 | CDK1 (0.43) | CDK1CDK2MAPK14KDRLCK | |
| SCHEMBL6824355 | 0.86 | CDK1 (0.42) | CDK1CDK2MAPK14ADORA2AADORA1 | |
| SCHEMBL6824771 | 0.85 | CDK1 (0.38) | CDK1CDK2ALDH1A1KDRKMT2A | |
| SCHEMBL6824190 | 0.84 | MAPK14 (0.43) | CDK1CDK2MAPK14ADORA2AADORA1 | |
| SCHEMBL6824361 | 0.84 | MAPK14 (0.40) | CDK1CDK2MAPK14HTTADORA2A | |
| SCHEMBL6826271 | 0.84 | KDM4E (0.41) | CDK1CDK2MAPK14ALDH1A1KDM4E | |
| SCHEMBL6826381 | 0.82 | MAPK14 (0.39) | CDK1CDK2MAPK14HTTALDH1A1 | |
| SCHEMBL6826440 | 0.82 | CDK1 (0.55) | CDK1CDK2ALDH1A1CYP1A2HPGD |
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-2004080979-A1 | NOVEL 3-(2-AMINO-4-PYRIMIDINYL)-4-HYDROXYPHENYL KETONE DERIVATIVES | LG LIFE SCIENCES LTD. (KR) | 2004-09-23 | — | — | WO | disclosed |