Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 8/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CTPS1 | P17812 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2054776 | 0.93 | NPC1 (0.38) | KCNK3NPC1RAB9ARORCLMNA | |
| SCHEMBL8251813 | 0.92 | NPC1 (0.38) | KCNK3NPC1RAB9ARORCLMNA | |
| SCHEMBL2097455 | 0.92 | NPC1 (0.38) | KCNK3NPC1RAB9ARORCLMNA | |
| SCHEMBL2054772 | 0.92 | NPC1 (0.37) | KCNK3NPC1RAB9ARORCLMNA | |
| SCHEMBL2054777 | 0.88 | KCNK3 (0.39) | KCNK3NPC1RAB9ARORCLMNA | |
| SCHEMBL2054774 | 0.73 | RORC (0.32) | RORC | |
| SCHEMBL2054773 | 0.72 | SLC6A9 (0.42) | — | |
| SCHEMBL2054775 | 0.71 | NPC1 (0.42) | KCNK3NPC1RAB9ALMNAGAA | |
| SCHEMBL2054766 | 0.71 | NPC1 (0.41) | NPC1RAB9ALMNAGAA | |
| SCHEMBL5431669 | 0.69 | NPC1 (0.56) | NPC1RAB9ALMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-8163956-B2 | Inhibitors of GLYT1 transporters | MERCK SHARP & DOHME CORP. (US) | 2012-04-24 | — | — | US | disclosed |