Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | BCL2 | P10415 | 1/20 | 0.44 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 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 | |
|---|---|---|---|---|
| SCHEMBL166894 | 0.94 | TP53 (0.61) | TP53CYP1A2CYP2A6MGLLTRPA1 | |
| Cyanide SCHEMBL27571922 | 0.92 | TP53 (0.52) | TP53CYP1A2CYP2A6MGLLTRPA1 | |
| Benzene SCHEMBL9785236 | 0.91 | TP53 (0.67) | TP53CYP1A2CYP2A6MGLLTRPA1 | |
| SCHEMBL28256639 | 0.91 | TP53 (0.58) | TP53CYP1A2CYP2A6MGLLTRPA1 | |
| Ammonia Solution, Strong SCHEMBL28805948 | 0.91 | TP53 (0.58) | TP53CYP1A2CYP2A6MGLLTRPA1 | |
| Hydrogen Peroxide SCHEMBL11520377 | 0.88 | TP53 (0.63) | TP53CYP1A2CYP2A6MGLLTRPA1 | |
| Methyl Alcohol SCHEMBL28745884 | 0.88 | TP53 (0.55) | TP53CYP1A2CYP2A6MGLLTRPA1 | |
| Ethylene SCHEMBL27256792 | 0.88 | TP53 (0.55) | TP53CYP1A2CYP2A6MGLLTRPA1 | |
| SCHEMBL29387515 | 0.86 | TP53 (0.52) | TP53CYP1A2CYP2A6MGLLTRPA1 | |
| SCHEMBL5250820 | 0.86 | TP53 (0.52) | TP53CYP1A2CYP2A6MGLLTRPA1 |
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-109776422-A | Chiral 1,3- diaryl imidazole salt carbene precursor, its synthetic method, metal salt complex and application | 中国科学院上海有机化学研究所 | 2019-05-21 | — | — | CN | disclosed |