Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RET | P07949 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5483794 | 0.79 | HPGD (0.62) | RPS6KA2ALDH1A1KDM4EHPGDHTR2A | |
| SCHEMBL3064844 | 0.75 | NOS1 (0.63) | RPS6KA2TRPA1ALDH1A1KDM4EHPGD | |
| SCHEMBL18181674 | 0.71 | ALK (0.47) | CDK9ALDH1A1KDM4EAMY1A | |
| SCHEMBL31722116 | 0.68 | NOS1 (0.50) | TRPA1KDM4EHPGDMAPTNPSR1 | |
| SCHEMBL19398634 | 0.68 | ROCK2 (0.59) | — | |
| SCHEMBL10595701 | 0.68 | ALDH1A1 (0.56) | RPS6KA2ALDH1A1KDM4EHPGDHTR2A | |
| SCHEMBL2021959 | 0.68 | KCNH2 (0.40) | AMY1A | |
| SCHEMBL10304910 | 0.68 | HTR7 (0.44) | CDK1CDK9 | |
| SCHEMBL3367775 | 0.67 | NOS1 (0.57) | TRPA1TRPM8KDM4EHPGDMAPT | |
| SCHEMBL15624567 | 0.66 | CYP1A1 (0.58) | ALDH1A1KDM4EHPGDHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-3287463-A1 | CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF | Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) | 2018-02-28 | — | — | EP | disclosed |