Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | LSS | P48449 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6733118 | 0.91 | CYP1A1 (0.44) | CYP1A2CYP1A1CYP1B1KCNH2GRM5 | |
| SCHEMBL563510 | 0.86 | APP (0.55) | CYP1A2CYP1A1CYP1B1KCNH2GRM5 | |
| Bromide SCHEMBL28159616 | 0.84 | APP (0.52) | CYP1A2CYP1A1CYP1B1KCNH2GRM5 | |
| Fluorobenzene SCHEMBL28040305 | 0.77 | APP (0.44) | CYP1A2CYP1A1CYP1B1KCNH2GRM5 | |
| Phenylacetylene SCHEMBL28207280 | 0.77 | APP (0.44) | CYP1A2CYP1A1CYP1B1KCNH2GRM5 | |
| SCHEMBL5886608 | 0.76 | APP (0.71) | CYP1A2CYP1A1CYP1B1KCNH2GRM5 | |
| SCHEMBL6514294 | 0.75 | PTPN11 (0.54) | ALDH1A1MAPTTDP1 | |
| SCHEMBL5680537 | 0.75 | CYP1A2 (1.00) | CYP1A2CYP1A1CYP1B1KCNH2GRM5 | |
| Methane SCHEMBL28739770 | 0.74 | APP (0.67) | CYP1A2CYP1A1CYP1B1KCNH2GRM5 | |
| SCHEMBL5949303 | 0.73 | APP (0.75) | CYP1A2CYP1A1CYP1B1KCNH2GRM5 |
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-107935803-B | Synthetic method of 1, 2-diketone compound | 浙江工业大学 | 2020-11-13 | — | — | CN | disclosed |