Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 9/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 1/20 | 0.48 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30101003 | 0.87 | TAAR1 (0.51) | TAAR1HTR1ADRD2HTR7MAP3K14 | |
| SCHEMBL30100970 | 0.81 | TAAR1 (0.54) | TAAR1HTR1ADRD2HTR7RAB9A | |
| SCHEMBL20964261 | 0.72 | TAAR1 (0.57) | TAAR1HTR1ADRD2HTR7KEAP1 | |
| SCHEMBL18723730 | 0.72 | TAAR1 (0.57) | TAAR1HTR1ADRD2HTR7KEAP1 | |
| SCHEMBL28945858 | 0.72 | TAAR1 (0.57) | TAAR1HTR1ADRD2HTR7KEAP1 | |
| SCHEMBL12644088 | 0.71 | TAAR1 (1.00) | TAAR1HTR1ADRD2HTR7KEAP1 | |
| SCHEMBL14903739 | 0.71 | TAAR1 (1.00) | TAAR1HTR1ADRD2HTR7KEAP1 | |
| SCHEMBL14903730 | 0.71 | TAAR1 (1.00) | TAAR1HTR1ADRD2HTR7KEAP1 | |
| SCHEMBL19674229 | 0.71 | TAAR1 (0.46) | TAAR1HTR1ADRD2HTR7 | |
| SCHEMBL19674426 | 0.70 | TAAR1 (0.48) | TAAR1HTR1ADRD2HTR7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112789276-B | Analgesic compounds, process for their preparation and their use in medicine | 上海海雁医药科技有限公司 | 2024-07-30 | — | — | CN | disclosed |
| CN-112789276-A | Analgesic compounds, their preparation and their pharmaceutical use | 上海海雁医药科技有限公司 | 2021-05-11 | — | — | CN | disclosed |