Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 7/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.34 |
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 SCHEMBL20604544 | 0.99 | PRSS1 (0.39) | PRSS1HRH3CHRM3SMPD1 | |
| SCHEMBL23926452 | 0.91 | HTR1A (0.36) | PRSS1CHRM3 | |
| Bromide SCHEMBL20604466 | 0.90 | HTR1A (0.35) | PRSS1CHRM3 | |
| SCHEMBL23926446 | 0.75 | CHRM3 (0.34) | CHRM3 | |
| Bromide SCHEMBL20604528 | 0.74 | CHRM3 (0.36) | CHRM3 | |
| SCHEMBL31638056 | 0.74 | ALDH1A1 (0.57) | PRSS1 | |
| SCHEMBL3008411 | 0.74 | ALDH1A1 (0.57) | PRSS1 | |
| SCHEMBL23926424 | 0.74 | APP (0.37) | HRH3CHRM3 | |
| Bromide SCHEMBL20604553 | 0.72 | CHRNB2 (0.36) | HRH3CHRM3 | |
| SCHEMBL23926451 | 0.71 | CYP1A2 (0.38) | — |
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 |