Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2326835 | 0.86 | — | — | |
| Benzyl Bromide SCHEMBL27303092 | 0.75 | ALDH1A1 (0.70) | MAOBCYP1A2CYP1A1CYP1B1ALDH1A1 | |
| Propionitrile SCHEMBL27536393 | 0.74 | MAOA (0.44) | MAOBMAOACYP1A2CYP1A1CYP1B1 | |
| Acetonitrile SCHEMBL28305683 | 0.74 | MAOB (0.56) | MAOBMAOACYP1A2CYP1A1CYP1B1 | |
| SCHEMBL8845028 | 0.72 | ALDH1A1 (0.50) | MAOBMAOACYP1A2CYP1A1CYP1B1 | |
| Ethylbenzene SCHEMBL27560873 | 0.72 | TP53 (0.74) | MAOBMAOACYP1A2CYP1A1CYP1B1 | |
| SCHEMBL7100781 | 0.71 | MAOA (0.46) | MAOBMAOACYP1A2CYP1A1CYP1B1 | |
| SCHEMBL10337461 | 0.71 | MAOB (0.42) | MAOBMAOACYP1A2CYP1A1CYP1B1 | |
| SCHEMBL10978005 | 0.70 | CYP1A2 (0.42) | MAOBMAOACYP1A2IDO1MEN1 | |
| Benzyl Thiocyanate SCHEMBL129196 | 0.70 | MAOB (0.48) | MAOBMAOACYP1A2CYP1A1CYP1B1 |
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-109678797-A | A method of quickly preparing ABA Receptor agonist | 邵阳学院 | 2019-04-26 | — | — | CN | disclosed |