Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.62 |
| ▸ | HTR2B | P41595 | 3/20 | 0.62 |
| ▸ | HTR2C | P28335 | 2/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.58 |
| ▸ | DRD3 | P35462 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23095189 | 0.91 | HTR2A (0.66) | HTR2AHTR2BHTR2CSIGMAR1ADRA2C | |
| Hydrochloric Acid SCHEMBL4685697 | 0.85 | HTR2A (0.63) | HTR2AHTR2BHTR2CSIGMAR1ADRA2C | |
| SCHEMBL8246845 | 0.84 | HTR2A (0.70) | HTR2AHTR2BHTR2CSIGMAR1ADRA2C | |
| SCHEMBL11616506 | 0.83 | HTR2A (0.64) | HTR2AHTR2BHTR2CSIGMAR1ADRA2C | |
| SCHEMBL28185303 | 0.81 | ALDH1A1 (0.41) | LMNATAAR1IDO1KCNH2 | |
| SCHEMBL19426957 | 0.79 | HTR2A (0.59) | HTR2AHTR2BHTR2CSIGMAR1ADRA2C | |
| SCHEMBL2659237 | 0.79 | HTR2A (0.77) | HTR2AHTR2BHTR2CSIGMAR1ADRA2C | |
| SCHEMBL28403791 | 0.78 | SIGMAR1 (0.76) | HTR2AHTR2BHTR2CSIGMAR1ADRA2C | |
| Fenfluramine SCHEMBL10974346 | 0.77 | SIGMAR1 (0.86) | HTR2AHTR2BHTR2CSIGMAR1ADRA2C | |
| Nordexfenfluramine SCHEMBL4668266 | 0.77 | HTR2A (1.00) | HTR2AHTR2BHTR2CSIGMAR1ADRA2C |
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-107338043-A | A kind of new racemic chirality organic boron nitrogen fluorescent chemicals and preparation method thereof | 湖南大学 | 2017-11-10 | — | — | CN | disclosed |