Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 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 | |
|---|---|---|---|---|
| SCHEMBL6059200 | 0.87 | MAPT (0.35) | GRIN2BMAPK1HDAC1ALDH1A1MAPT | |
| SCHEMBL6059388 | 0.87 | GRIN2B (0.39) | GRIN2BHDAC1ALDH1A1TSHRCYP1A2 | |
| SCHEMBL6058746 | 0.86 | CYP17A1 (0.36) | GRIN2BBCL2HDAC1ALDH1A1MAPT | |
| SCHEMBL6058748 | 0.85 | MAPT (0.34) | GRIN2BMAPK1HDAC1ALDH1A1MAPT | |
| SCHEMBL6058752 | 0.85 | GRIN2B (0.41) | GRIN2BBCL2MAPK1HDAC1S1PR3 | |
| SCHEMBL7381065 | 0.83 | GRIN2B (0.37) | GRIN2BHDAC1ALDH1A1TSHRCYP1A2 | |
| SCHEMBL6059833 | 0.83 | GRIN2B (0.40) | GRIN2BBCL2MAPK1HDAC1S1PR3 | |
| SCHEMBL7384137 | 0.78 | GRIN2B (0.34) | GRIN2BHDAC1ALDH1A1TSHRCYP1A2 | |
| SCHEMBL7376328 | 0.78 | MAPK1 (0.42) | GRIN2BBCL2MAPK1HDAC1CYP17A1 | |
| SCHEMBL7379740 | 0.77 | MAPKAPK2 (0.32) | HDAC1 |
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 |