Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL20604528 | 0.99 | CHRM3 (0.36) | CHRM3ALDH1A1HSD17B10HTR1AHTR7 | |
| SCHEMBL23926437 | 0.92 | HTR1A (0.34) | CHRM3HTR1AHTR7POLBKDM4E | |
| Bromide SCHEMBL20604460 | 0.90 | POLB (0.34) | CHRM3HTR1AHTR7POLBKDM4E | |
| SCHEMBL16560595 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HSD17B10POLBNPC1PTK2B | |
| SCHEMBL16560592 | 0.75 | LMNA (0.42) | ALDH1A1HSD17B10POLBNPC1PTK2B | |
| SCHEMBL23926426 | 0.75 | PRSS1 (0.40) | CHRM3 | |
| SCHEMBL22005040 | 0.74 | KDM4E (0.44) | ALDH1A1HTR1AHTR7POLBNPC1 | |
| Bromide SCHEMBL20604544 | 0.74 | PRSS1 (0.39) | CHRM3 | |
| SCHEMBL91232 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HTR7POLBKDM4E | |
| SCHEMBL22005008 | 0.73 | NPC1 (0.47) | ALDH1A1HSD17B10POLBNPC1PTK2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-3423441-B1 | IODINATED ANALOGS OF CHOLINE, METHODS OF PREPARATION THEREOF, AND USE THEREOF AS MEDICAMENTS | UNIV PALACKEHO (CZ) | 2021-10-27 | — | — | EP | claimed |