Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.44 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | PAM | P19021 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11252486 | 1.00 | CA1 (0.48) | CA1MGLLHDAC2GRIK1GRIK2 | |
| Biphenyl SCHEMBL28843797 | 0.93 | HTR2A (0.48) | CA1MGLLHTR2ARELAIDO1 | |
| SCHEMBL14961 | 0.86 | HTR2A (0.54) | HTR2ARELAIDO1PAM | |
| SCHEMBL178030 | 0.86 | HTR2A (0.54) | HTR2ARELAIDO1PAM | |
| Benzene SCHEMBL1226473 | 0.86 | HTR2A (0.54) | HTR2ARELAIDO1PAM | |
| SCHEMBL4528665 | 0.86 | HTR2A (0.54) | HTR2ARELAIDO1PAM | |
| SCHEMBL455862 | 0.86 | HTR2A (0.54) | HTR2ARELAIDO1PAM | |
| Benzene SCHEMBL1226476 | 0.86 | HTR2A (0.54) | HTR2ARELAIDO1PAM | |
| SCHEMBL28363766 | 0.84 | HTR2A (0.52) | HTR2ARELAIDO1PAM | |
| Hydrogen Sulfide SCHEMBL28289964 | 0.84 | HTR2A (0.52) | HTR2ARELACYP1A2CYP3A4IDO1 |
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-108101826-B | Indole-substituted alkylamine compound and application thereof | 华东理工大学 | 2022-05-10 | — | — | CN | disclosed |