Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | SCD | O00767 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6058813 | 0.96 | GRIN2B (0.42) | GRIN2BTSHRATMHDAC1MMP8 | |
| SCHEMBL6058966 | 0.87 | CYP17A1 (0.41) | GRIN2BTSHRHDAC1ALDH1A1PTGER1 | |
| SCHEMBL6059388 | 0.85 | GRIN2B (0.39) | GRIN2BTSHRATMHDAC1MMP8 | |
| SCHEMBL6059212 | 0.85 | GRIN2B (0.42) | GRIN2BATMHDAC1CTSSCTSL | |
| SCHEMBL6058752 | 0.85 | GRIN2B (0.41) | GRIN2BHDAC1MMP8CTSSCTSK | |
| SCHEMBL6058894 | 0.85 | CYP17A1 (0.39) | GRIN2BHDAC1ALDH1A1SYKPTGER1 | |
| SCHEMBL6059833 | 0.83 | GRIN2B (0.40) | GRIN2BHDAC1MMP8CTSSCTSK | |
| SCHEMBL7381065 | 0.82 | GRIN2B (0.37) | GRIN2BTSHRATMHDAC1CTSL | |
| SCHEMBL6058763 | 0.82 | CYP17A1 (0.39) | GRIN2BHDAC1ALDH1A1CYP2C9PTGER1 | |
| SCHEMBL6059311 | 0.82 | GRIN2B (0.43) | GRIN2BTSHRATMHDAC1CTSS |
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 |