Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.81 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.81 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.81 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.81 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.81 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.81 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.81 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.81 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.81 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.81 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.81 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.81 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.74 |
| ▸ | MAPT | P10636 | 3/20 | 0.74 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | MEN1 | O00255 | 2/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.74 |
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 | |
|---|---|---|---|---|
| Trimebutine SCHEMBL14273976 | 0.90 | OPRM1 (1.00) | OPRM1OPRD1SLC6A3NR1I2CHRM2 | |
| Trimebutine SCHEMBL25705 | 0.90 | OPRM1 (1.00) | OPRM1OPRD1SLC6A3NR1I2CHRM2 | |
| Trimebutine SCHEMBL7428847 | 0.89 | OPRM1 (0.98) | OPRM1OPRD1SLC6A3NR1I2CHRM2 | |
| SCHEMBL16522145 | 0.86 | OPRM1 (0.88) | OPRM1OPRD1SLC6A3NR1I2CHRM2 | |
| Trimebutine SCHEMBL5011979 | 0.85 | ALDH1A1 (1.00) | OPRM1OPRD1SLC6A3NR1I2CHRM2 | |
| Trimebutine SCHEMBL67225 | 0.85 | ALDH1A1 (1.00) | OPRM1OPRD1SLC6A3NR1I2CHRM2 | |
| Trimebutine SCHEMBL1652810 | 0.85 | ALDH1A1 (1.00) | OPRM1OPRD1SLC6A3NR1I2CHRM2 | |
| Trimebutine SCHEMBL28274910 | 0.85 | ALDH1A1 (1.00) | OPRM1OPRD1SLC6A3NR1I2CHRM2 | |
| SCHEMBL31432918 | 0.81 | OPRM1 (0.69) | OPRM1OPRD1SLC6A3NR1I2CHRM2 | |
| SCHEMBL14317655 | 0.81 | OPRM1 (0.83) | OPRM1OPRD1SLC6A3NR1I2CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021221544-A1 | NOVEL COMPOUND [2-(DIMETHYLAMINO)-2-PHENYLBUTYL]-3,4,5-TRIMETHOXYBENZOATE 4-METHYL-2Н-CHROMEN-2-ON-7-YL SULPHATE AND USE THEREOF | ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ВАЛЕНТА-ИНТЕЛЛЕКТ" (RU) | 2021-11-04 | — | — | WO | disclosed |