Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 10/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 4/20 | 0.38 |
| ▸ | HTR2C | P28335 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 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 | |
|---|---|---|---|---|
| SCHEMBL28061774 | 0.81 | HTR6 (0.42) | CHRM2CHRM1HTR6HTR2AHTR2C | |
| SCHEMBL7462033 | 0.81 | HTR6 (0.39) | CHRM2CHRM1HTR6HTR2AHTR2C | |
| Fluoride SCHEMBL28061775 | 0.80 | HTR6 (0.41) | CHRM2CHRM1HTR6HTR2AHTR2C | |
| SCHEMBL3796418 | 0.80 | SLC6A2 (0.49) | CHRM2CHRM1HTR6HTR2AHTR2C | |
| SCHEMBL6744243 | 0.79 | CA1 (0.44) | CHRM2CHRM1HTR6ALDH1A1TSHR | |
| SCHEMBL10979646 | 0.79 | CA1 (0.39) | CHRM2CHRM1HTR6HTR2AHTR2C | |
| SCHEMBL10974784 | 0.79 | CA1 (0.39) | CHRM2CHRM1HTR6HTR2AHTR2C | |
| SCHEMBL5025030 | 0.78 | ADRB1 (0.44) | CHRM2CHRM1HTR6POLBHTR2C | |
| SCHEMBL3958698 | 0.77 | CA1 (0.45) | CHRM2CHRM1HTR6ALDH1A1TSHR | |
| SCHEMBL28440794 | 0.75 | SLC6A2 (0.41) | CHRM2CHRM1HTR6HTR2CTSHR |
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-116332929-A | 3-amido-beta-carboline compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-06-27 | — | — | CN | disclosed |