Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.61 |
| ▸ | UGCG | Q16739 | 1/20 | 0.61 |
| ▸ | CNR1 | P21554 | 4/20 | 0.54 |
| ▸ | CNR2 | P34972 | 4/20 | 0.54 |
| ▸ | PARP1 | P09874 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL4188750 | 0.91 | NR1I2 (0.65) | NR1I2UGCGCNR1CNR2PARP1 | |
| SCHEMBL4030260 | 0.90 | NR1I2 (0.64) | NR1I2UGCGCNR1CNR2PARP1 | |
| SCHEMBL14373857 | 0.89 | NR1I2 (0.57) | NR1I2UGCGCNR1CNR2PARP1 | |
| SCHEMBL14373977 | 0.88 | NR1I2 (0.56) | NR1I2UGCGCNR1CNR2PARP1 | |
| SCHEMBL14373844 | 0.88 | NR1I2 (0.59) | NR1I2UGCGCNR1CNR2PARP1 | |
| SCHEMBL14373875 | 0.86 | NR1I2 (0.56) | NR1I2UGCGCNR1CNR2PARP1 | |
| SCHEMBL14373676 | 0.86 | NR1I2 (0.61) | NR1I2UGCGCNR1CNR2PARP1 | |
| SCHEMBL4023774 | 0.84 | NR1I2 (0.57) | NR1I2UGCGCNR1CNR2ALDH1A1 | |
| SCHEMBL4029265 | 0.84 | PARP1 (0.60) | NR1I2UGCGCNR1CNR2PARP1 | |
| SCHEMBL14373714 | 0.82 | NR1I2 (0.61) | NR1I2UGCGCNR1CNR2ALDH1A1 |
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 |