Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | AGER | Q15109 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2804814 | 0.84 | KDM4E (0.45) | ALDH1A1KDM4EMAPTHSD17B10GRIN2D | |
| SCHEMBL14678041 | 0.80 | KEAP1 (0.49) | ALDH1A1NR4A1NR4A2NR4A3KDM4E | |
| SCHEMBL8806687 | 0.78 | ALDH1A1 (0.58) | ALDH1A1KDM4EALOX15MAPTCYP3A4 | |
| SCHEMBL31179778 | 0.78 | ALDH1A1 (0.58) | ALDH1A1KDM4EALOX15MAPTCYP3A4 | |
| SCHEMBL27991752 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KDM4EALOX15MAPTHSD17B10 | |
| SCHEMBL27940676 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KDM4EALOX15MAPTHSD17B10 | |
| SCHEMBL6579790 | 0.76 | ALDH1A1 (0.47) | ALDH1A1NR4A1NR4A2NR4A3KDM4E | |
| SCHEMBL902623 | 0.76 | ALDH1A1 (0.66) | ALDH1A1NR4A1NR4A2NR4A3KDM4E | |
| SCHEMBL70017 | 0.76 | ALDH1A1 (0.61) | ALDH1A1KDM4EMAPTTSHRPTPN1 | |
| SCHEMBL30034075 | 0.76 | ALDH1A1 (0.61) | ALDH1A1KDM4EMAPTTSHRPTPN1 |
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-107549871-A | It is a kind of to eliminate composition of harmful substance and application thereof in cigarette or air | 重庆市江北区健希环保新材料科技有限公司 | 2018-01-09 | — | — | CN | disclosed |