Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.55 |
| ▸ | UGCG | Q16739 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4031169 | 0.87 | NR1I2 (0.50) | NR1I2UGCGMAPK1ALDH1A1MCL1 | |
| SCHEMBL4030260 | 0.87 | NR1I2 (0.64) | NR1I2UGCGMAPK1ALDH1A1MCL1 | |
| SCHEMBL4188750 | 0.86 | NR1I2 (0.65) | NR1I2UGCGMAPK1ALDH1A1MCL1 | |
| SCHEMBL4196231 | 0.83 | PARP1 (0.59) | NR1I2UGCGMAPK1ALDH1A1MCL1 | |
| SCHEMBL4189981 | 0.83 | ALDH1A1 (0.60) | NR1I2UGCGMAPK1ALDH1A1MCL1 | |
| Hydrochloric Acid SCHEMBL4195897 | 0.82 | PARP1 (0.58) | NR1I2UGCGMAPK1ALDH1A1MCL1 | |
| SCHEMBL4205227 | 0.81 | NR1I2 (0.61) | NR1I2UGCGMAPK1ALDH1A1MCL1 | |
| SCHEMBL4564917 | 0.81 | CNR2 (0.55) | NR1I2UGCGMAPK1ALDH1A1MCL1 | |
| SCHEMBL14373683 | 0.80 | MAPK1 (0.53) | NR1I2UGCGMAPK1ALDH1A1MCL1 | |
| SCHEMBL4029265 | 0.79 | PARP1 (0.60) | NR1I2UGCGMAPK1ALDH1A1MCL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2029535-A1 | ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER | AstraZeneca AB (SE) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007139464-A1 | ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER | ASTRAZENECA AB (SE) | 2007-12-06 | — | — | WO | disclosed |
| WO-2007139464-A1 | ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER | ASTRAZENECA AB (SE) | 2007-12-06 | — | — | WO | disclosed |