Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 5/20 | 0.50 |
| ▸ | FGFR1 | P11362 | 4/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CALM1 | P0DP23 | 4/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | FGFR2 | P21802 | 4/20 | 0.44 |
| ▸ | FGFR3 | P22607 | 3/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9491787 | 0.77 | CYP19A1 (0.68) | DAOFGFR1KDRCYP19A1CALM1 | |
| SCHEMBL23528205 | 0.75 | CHRM2 (0.50) | DAOFGFR1CYP1A2 | |
| SCHEMBL7172295 | 0.74 | MAOA (0.42) | DAO | |
| SCHEMBL1972535 | 0.74 | CYP19A1 (0.66) | CYP19A1CALM1AKR1B1GABRA1GABRG2 | |
| SCHEMBL1975466 | 0.72 | TAAR1 (0.69) | CYP19A1AKR1B1GABRA1GABRG2GABRB3 | |
| SCHEMBL28232670 | 0.71 | CYP19A1 (0.53) | DAOFGFR1KDRCYP19A1CALM1 | |
| SCHEMBL11377807 | 0.71 | LTA4H (0.55) | CYP2D6 | |
| SCHEMBL28891744 | 0.71 | CALM1 (0.75) | CYP19A1CALM1AKR1B1 | |
| SCHEMBL7475165 | 0.71 | TAAR1 (0.52) | DAO | |
| SCHEMBL28233100 | 0.71 | DAO (0.49) | DAOFGFR1KDRCYP19A1CALM1 |
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-108530361-A | A kind of synthesis technology of 5- [2- (3,5- Dimethoxyphenyls) ethyl] -1H- pyrazoles -3- amine | 重庆医药高等专科学校 | 2018-09-14 | — | — | CN | disclosed |