Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29347914 | 0.98 | MEN1 (0.51) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL2706388 | 0.98 | MEN1 (0.51) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| Hydrochloric Acid SCHEMBL1764801 | 0.96 | MEN1 (0.50) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL2239954 | 0.92 | CHRNB2 (0.50) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL2300269 | 0.92 | CHRNB2 (0.50) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL1673367 | 0.92 | CHRNB2 (0.50) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| Hydrochloric Acid SCHEMBL17437253 | 0.90 | CHRNB2 (0.49) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| Hydrochloric Acid SCHEMBL17437256 | 0.90 | CHRNB2 (0.49) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL1945379 | 0.81 | HTR3A (0.49) | CHRNB2CHRNA7CHRNA4MAPKAPK2SLC6A2 | |
| SCHEMBL1945377 | 0.81 | HTR3A (0.49) | CHRNB2CHRNA7CHRNA4MAPKAPK2SLC6A2 |
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-3784666-B1 | ANTIPROLIFERATION COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2022-03-16 | — | — | EP | disclosed |