Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 8/20 | 0.52 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HTR5A | P47898 | 1/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14877992 | 0.75 | BCAT2 (0.53) | GRM2NPC1RAB9APARP1 | |
| SCHEMBL29777916 | 0.73 | NPC1 (0.46) | GRM2NPC1RAB9ACDC7ALOX5AP | |
| SCHEMBL2113823 | 0.73 | NPC1 (0.59) | GRM2NPC1RAB9ACDC7ALOX5AP | |
| SCHEMBL19659747 | 0.72 | GRM2 (0.44) | GRM2SCN9ANPC1RAB9ACDC7 | |
| SCHEMBL18036225 | 0.72 | KDM4E (0.44) | GRM2CDC7ALOX5APFEN1 | |
| SCHEMBL31341112 | 0.71 | CDC7 (0.45) | NPC1RAB9ACDC7PARP1 | |
| SCHEMBL30140611 | 0.71 | NPC1 (0.50) | GRM2NPC1RAB9A | |
| SCHEMBL6634187 | 0.70 | SIRT6 (0.50) | GRM2 | |
| SCHEMBL16318634 | 0.70 | KDM4E (0.43) | GRM2NPC1RAB9A | |
| SCHEMBL5285579 | 0.70 | MAPT (0.47) | GRM2NPC1RAB9ACDC7PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3416648-A1 | PROCESSES FOR THE PREPARATION OF A BACE INHIBITOR | Merck Sharp & Dohme Corp. (US) | 2018-12-26 | — | — | EP | disclosed |
| WO-2017142804-A1 | PROCESSES FOR THE PREPARATION OF A BACE INHIBITOR | MERCK SHARP & DOHME CORP. (US) | 2017-08-24 | — | — | WO | disclosed |