Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | GLS | O94925 | 4/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6058625 | 1.00 | GRIN2B (0.44) | GRIN2BHDAC1NAMPTGLSGRIK1 | |
| SCHEMBL6058627 | 1.00 | GRIN2B (0.44) | GRIN2BHDAC1NAMPTGLSGRIK1 | |
| SCHEMBL4503048 | 0.92 | HDAC1 (0.40) | GRIN2BHDAC1NAMPTGLSBCL2 | |
| SCHEMBL4503046 | 0.92 | HDAC1 (0.40) | GRIN2BHDAC1NAMPTGLSBCL2 | |
| SCHEMBL4511511 | 0.85 | CTSS (0.41) | GRIN2BHDAC1NAMPTGLSBCL2 | |
| SCHEMBL4511514 | 0.85 | CTSS (0.41) | GRIN2BHDAC1NAMPTGLSBCL2 | |
| SCHEMBL949620 | 0.79 | NAMPT (0.48) | GRIN2BHDAC1NAMPTGLSBCL2 | |
| SCHEMBL6059332 | 0.78 | NAMPT (0.40) | GRIN2BHDAC1NAMPTBCL2RAB9A | |
| SCHEMBL5404174 | 0.76 | GRIK1 (0.51) | GRIK1NPC1RAB9AMAPTCA12 | |
| SCHEMBL5404169 | 0.76 | GRIK1 (0.51) | GRIK1NPC1RAB9AMAPTCA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7071175-B1 | Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors | ASTRAZENECA AB (SE) | 2006-07-04 | — | — | US | disclosed |
| EP-1180098-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2002-02-20 | — | — | EP | disclosed |
| WO-2000066557-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2000-11-09 | — | — | WO | disclosed |