Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6059388 | 0.90 | GRIN2B (0.39) | GRIN2BHDAC1TSHRPPARACYP3A4 | |
| SCHEMBL7381065 | 0.87 | GRIN2B (0.37) | GRIN2BHDAC1TSHRPPARACYP3A4 | |
| SCHEMBL7379740 | 0.85 | MAPKAPK2 (0.32) | HDAC1CPB2 | |
| SCHEMBL6058746 | 0.81 | CYP17A1 (0.36) | GRIN2BHDAC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6058794 | 0.78 | GRIN2B (0.37) | GRIN2BHDAC1TSHRPPARACYP3A4 | |
| SCHEMBL6058813 | 0.77 | GRIN2B (0.42) | GRIN2BHDAC1TSHRPPARGPPARA | |
| SCHEMBL6059207 | 0.77 | GRIN2B (0.43) | GRIN2BHDAC1TSHRCYP2C9ALDH1A1 | |
| SCHEMBL6059200 | 0.76 | MAPT (0.35) | GRIN2BHDAC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6058748 | 0.75 | MAPT (0.34) | GRIN2BHDAC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4006070 | 0.74 | CPB2 (0.49) | CPB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |