Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL66681 | 0.98 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| Fluoride SCHEMBL28017025 | 0.95 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL11437166 | 0.95 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL27905055 | 0.95 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL1199043 | 0.95 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL1199042 | 0.95 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| Potassium SCHEMBL11437170 | 0.95 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL9862021 | 0.95 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL9614515 | 0.95 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| Hydrogen Peroxide SCHEMBL6286755 | 0.93 | CYP1A2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109169676-A | A kind of bactericidal composition containing Isoflucypram and methoxy acrylic bactericide | 东莞东阳光科研发有限公司 | 2019-01-11 | — | — | CN | disclosed |
| CN-109133730-A | A kind of mineral wool abatvoix and preparation method thereof | 北新集团建材股份有限公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-107646856-A | A kind of bactericidal composition containing benziothiazolinone and the third oxygen quinoline | 陕西西大华特科技实业有限公司 | 2018-02-02 | — | — | CN | disclosed |
| CN-105542248-B | Graphene modified natural emulsion preparation method and high barrier condom | 重庆墨希科技有限公司 | 2017-08-08 | — | — | CN | disclosed |