Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6059683 | 0.80 | GRIN2B (0.41) | GRIN2BMAPK1L3MBTL1POLBGAA | |
| Hydrochloric Acid SCHEMBL6059862 | 0.78 | MAPK1 (0.45) | GRIN2BMAPK1L3MBTL1TSHRKDR | |
| SCHEMBL6058909 | 0.78 | GRIN2B (0.53) | GRIN2BMAPK1L3MBTL1TSHRKDR | |
| SCHEMBL6058792 | 0.77 | GRIN2B (0.41) | GRIN2BMAPK1L3MBTL1POLBGAA | |
| SCHEMBL27542610 | 0.77 | GRIN2B (0.43) | GRIN2BMAPK1L3MBTL1TSHRKDR | |
| SCHEMBL6059311 | 0.75 | GRIN2B (0.43) | GRIN2BNPSR1TSHRALDH1A1MAPT | |
| SCHEMBL27517903 | 0.75 | GRIN2B (0.43) | GRIN2BMAPK1L3MBTL1TSHRKDR | |
| SCHEMBL6058917 | 0.74 | POLB (0.38) | GRIN2BMAPK1POLBGAANPSR1 | |
| SCHEMBL6059301 | 0.74 | GRIN2B (0.37) | GRIN2BMAPK1L3MBTL1POLBGAA | |
| SCHEMBL6058669 | 0.72 | GRIN2B (0.40) | GRIN2BMAPK1POLBGAANPSR1 |
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 |