Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 14/20 | 0.51 |
| ▸ | PARP2 | Q9UGN5 | 7/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | UGCG | Q16739 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL24469636 | 0.90 | PARP1 (0.56) | PARP1PARP2CRBNNR1I2UGCG | |
| SCHEMBL4029724 | 0.88 | PARP1 (0.54) | PARP1PARP2CRBNNR1I2UGCG | |
| SCHEMBL4026219 | 0.86 | PARP1 (0.53) | PARP1PARP2CRBNNR1I2UGCG | |
| SCHEMBL4033048 | 0.81 | PARP1 (0.46) | PARP1PARP2CRBNNR1I2UGCG | |
| SCHEMBL4028293 | 0.77 | PARP1 (0.70) | PARP1PARP2LMNAHTT | |
| SCHEMBL12714317 | 0.77 | PARP1 (0.60) | PARP1PARP2CRBNHTT | |
| Water SCHEMBL4194596 | 0.76 | PARP1 (0.68) | PARP1PARP2LMNAHTT | |
| SCHEMBL24469663 | 0.76 | PARP1 (0.56) | PARP1PARP2NR1I2UGCGLMNA | |
| SCHEMBL12714380 | 0.74 | PARP1 (0.45) | PARP1PARP2CRBNLMNAHTT | |
| SCHEMBL12714384 | 0.74 | PARP1 (0.45) | PARP1PARP2CRBNLMNAHTT |
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 |