Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10942478 | 0.83 | CYP1A2 (0.41) | CYP1A2CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL9766164 | 0.83 | CYP1A2 (0.48) | CYP1A2SIGMAR1EPHX1FDPS | |
| SCHEMBL28922372 | 0.83 | CYP1A2 (0.48) | CYP1A2SIGMAR1EPHX1FDPS | |
| Methane SCHEMBL28302061 | 0.81 | CYP1A2 (0.39) | CYP1A2CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL2580716 | 0.80 | CYP1A2 (0.37) | CYP1A2CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL11981967 | 0.79 | CYP1A2 (0.38) | CYP1A2CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL28578100 | 0.79 | CYP1A2 (0.38) | CYP1A2CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL28398445 | 0.77 | CYP1A2 (0.37) | CYP1A2CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL8029378 | 0.75 | CYP1A2 (0.42) | CYP1A2CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL26103865 | 0.74 | CYP1A2 (0.33) | CYP1A2CYP2D6CHRM2CHRM1KCNH2 |
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-107109040-B | Polytrimethylene terephthalate composition, polyester fiber and its manufacturing method | 帝人富瑞特株式会社 | 2019-06-28 | — | — | CN | disclosed |