Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 9/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | BLM | P54132 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | TK1 | P04183 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | VCP | P55072 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | PNP | P00491 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | EDNRA | P25101 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | HBB | P68871 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19662085 | 1.00 | HPRT1 (0.56) | HPRT1MEN1BLMKMT2ATK1 | |
| SCHEMBL7815960 | 0.90 | HPRT1 (0.54) | HPRT1MEN1BLMKMT2ATK1 | |
| SCHEMBL21311340 | 0.86 | HPRT1 (0.61) | HPRT1MEN1BLMKMT2ATK1 | |
| SCHEMBL14644457 | 0.85 | HPRT1 (0.54) | HPRT1MEN1BLMKMT2ATK1 | |
| SCHEMBL18822254 | 0.85 | HPRT1 (0.54) | HPRT1MEN1BLMKMT2ATK1 | |
| SCHEMBL6455102 | 0.85 | HPRT1 (0.56) | HPRT1MEN1BLMKMT2ATK1 | |
| SCHEMBL27374408 | 0.84 | HPRT1 (0.40) | HPRT1MEN1BLMKMT2ATK1 | |
| SCHEMBL6306729 | 0.84 | BLM (0.52) | HPRT1MEN1BLMKMT2ATK1 | |
| SCHEMBL5503608 | 0.83 | HPRT1 (0.56) | HPRT1MEN1BLMKMT2ATK1 | |
| SCHEMBL5580122 | 0.83 | BLM (0.51) | HPRT1MEN1BLMKMT2ATK1 |
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-105911163-A | Determination method of acetaldehyde-DNA adduct | 国家烟草质量监督检验中心 | 2016-08-31 | — | — | CN | disclosed |
| CN-105911165-A | Determination method of crotonaldehyde-DNA adduct | 国家烟草质量监督检验中心 | 2016-08-31 | — | — | CN | disclosed |