Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | NEK2 | P51955 | 1/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28593806 | 0.79 | ALDH1A1 (0.44) | ALDH1A1TDP1ADRA2BPTGS1CHEK1 | |
| SCHEMBL15268120 | 0.75 | CHEK1 (0.48) | ALDH1A1TDP1ADRA2BPTGS1CHEK1 | |
| SCHEMBL29707613 | 0.75 | CHEK1 (0.60) | ALDH1A1TDP1ADRA2BPTGS1CHEK1 | |
| SCHEMBL113870 | 0.75 | CHEK1 (0.60) | ALDH1A1TDP1ADRA2BPTGS1CHEK1 | |
| SCHEMBL28346364 | 0.74 | ACHE (0.41) | ALDH1A1CYP3A4TSHRSLC6A2SLC6A4 | |
| SCHEMBL20068298 | 0.74 | CYP3A4 (0.48) | ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL30129782 | 0.73 | CHEK1 (0.58) | ALDH1A1TDP1ADRA2BPTGS1CHEK1 | |
| Hydrochloric Acid SCHEMBL4419467 | 0.73 | CHEK1 (0.58) | ALDH1A1TDP1ADRA2BPTGS1CHEK1 | |
| SCHEMBL19337009 | 0.73 | CHEK1 (0.46) | ALDH1A1TDP1ADRA2BPTGS1CHEK1 | |
| Hydrochloric Acid SCHEMBL10431886 | 0.73 | CHEK1 (0.58) | ALDH1A1TDP1ADRA2BPTGS1CHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107473976-B | A kind of preparation method of N- methoxyl methyl aminated compounds | 中国科学院大连化学物理研究所 | 2019-07-12 | — | — | CN | disclosed |