Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.70 |
| ▸ | PARP2 | Q9UGN5 | 9/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL4194596 | 0.99 | PARP1 (0.68) | PARP1PARP2LMNAHTTACHE | |
| SCHEMBL14373729 | 0.88 | PARP1 (0.69) | PARP1PARP2LMNAHTTDRD2 | |
| SCHEMBL15661571 | 0.82 | PARP1 (1.00) | PARP1PARP2LMNAHTT | |
| SCHEMBL29802796 | 0.81 | PARP1 (0.80) | PARP1PARP2LMNAHTTSMN1; SMN2 | |
| SCHEMBL12714369 | 0.80 | PARP1 (0.50) | PARP1PARP2LMNAHTT | |
| SCHEMBL4032594 | 0.80 | PARP1 (0.61) | PARP1PARP2ACHENPC1KDM4E | |
| SCHEMBL12714324 | 0.79 | PARP1 (0.49) | PARP1PARP2LMNAHTT | |
| SCHEMBL12714375 | 0.79 | PARP1 (0.49) | PARP1PARP2LMNAHTT | |
| SCHEMBL4027209 | 0.79 | PARP1 (0.66) | PARP1PARP2LMNAHTTALDH1A1 | |
| SCHEMBL12714359 | 0.79 | PARP1 (0.68) | PARP1PARP2LMNAHTT |
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 |