Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Phenylacetaldehyde SCHEMBL8872229 | 0.82 | MAOB (0.44) | MAOBSIGMAR1GBA1HTR3AHTR3E | |
| Morpholine SCHEMBL28291064 | 0.80 | MEN1 (0.40) | MEN1KMT2AKDM4EGAACYP2C9 | |
| Phenylacetaldehyde SCHEMBL15401547 | 0.79 | MAOB (0.60) | MAOBMEN1KMT2ATSHR | |
| Benzaldehyde SCHEMBL11862136 | 0.77 | ALDH1A1 (0.56) | MAOBMEN1KMT2AKDM4EGAA | |
| Benzylamine SCHEMBL8413972 | 0.77 | LOXL2 (0.56) | MAOBMEN1KMT2AKDM4EGAA | |
| (Chloromethyl)Benzene SCHEMBL10929432 | 0.77 | SIGMAR1 (0.46) | MEN1KMT2AKDM4EGAACYP2C9 | |
| Phenylacetaldehyde SCHEMBL18972 | 0.77 | — | — | |
| Phenylacetaldehyde SCHEMBL3319438 | 0.77 | MAOB (0.63) | MAOBMEN1KMT2ATAAR1TSHR | |
| Phenylacetaldehyde SCHEMBL31725265 | 0.77 | — | — | |
| Phenylacetaldehyde SCHEMBL31402006 | 0.77 | — | — |
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-109666950-A | method for electrochemically synthesizing tetrazole compound | 浙江工业大学 | 2019-04-23 | — | — | CN | disclosed |