Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28549223 | 0.86 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL31107306 | 0.84 | ALDH1A1 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5716541 | 0.75 | TSHR (0.50) | CYP2C19TSHRALDH1A1SMN1; SMN2AOC3 | |
| SCHEMBL12889093 | 0.74 | ALDH1A1 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL26627853 | 0.74 | CYP2D6 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12609970 | 0.72 | TSHR (0.64) | CYP2D6CYP2C19TSHRALDH1A1CHRM2 | |
| SCHEMBL640126 | 0.71 | ALDH1A1 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL39645 | 0.71 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12873572 | 0.69 | ALDH1A1 (0.46) | CYP1A2CYP3A4TSHRG6PC1ALDH1A1 | |
| Bromide SCHEMBL209320 | 0.69 | ALDH1A1 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107249326-A | Weeding composition containing benazolin and seville orange | 龙灯农业化工国际有限公司 | 2017-10-13 | — | — | CN | disclosed |
| CN-103012289-A | Synthesis and biological activity of cyanoacrylate compound containing pyrimidine phenylate structure | UNIV NANKAI | 2013-04-03 | — | — | CN | disclosed |
| CN-100503578-C | N-2-pyrimidinyl oxy-benzyl substituted cyclic amine compound, its preparation process and uses | ZHEJIANG CHEM TECH GROUP CO LT (CN) | 2009-06-24 | — | — | CN | disclosed |
| CN-100381427-C | Benzylamine compound, and its preparing method and use | ZHEJIANG CHEMICAL TECHNOLOGY G (CN) | 2008-04-16 | — | — | CN | disclosed |
| CN-1743319-A | Benzylamine compound, preparation method and its usage | ZHEJIANG CHEMICAL TECHNOLOGY G (CN) | 2006-03-08 | — | — | CN | disclosed |
| CN-1733735-A | The cyclic amine compound that the N-2-2-pyrimidinyl oxy-benzyl replaces, preparation method and its usage | ZHEJIANG CHEM TECH GROUP CO LT (CN) | 2006-02-15 | — | — | CN | disclosed |