Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | GLS | O94925 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GSR | P00390 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | SCN1A | P35498 | 2/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9642930 | 0.83 | LMNA (0.41) | ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6512285 | 0.81 | CHRM2 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL7120235 | 0.78 | ALDH1A1 (0.46) | ALDH1A1RECQLGLSCYP2D6SLC6A2 | |
| SCHEMBL4556683 | 0.78 | SCN1A (0.57) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL7771215 | 0.78 | CA1 (0.44) | ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28747058 | 0.77 | ALDH1A1 (0.45) | ALDH1A1RECQLGLSCYP2D6SLC6A2 | |
| SCHEMBL21369008 | 0.76 | GLS (0.50) | ALDH1A1RECQLGLSCYP2D6CYP3A4 | |
| SCHEMBL1040114 | 0.76 | CES2 (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL5177631 | 0.75 | ALDH1A1 (0.43) | ALDH1A1RECQLCYP2D6SLC6A2SLC6A4 | |
| SCHEMBL97127 | 0.75 | TRPA1 (0.44) | ALDH1A1RECQLCYP2D6SLC6A2SLC6A4 |
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-2029535-A1 | ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER | AstraZeneca AB (SE) | 2009-03-04 | — | — | EP | claimed |
| WO-2007139464-A1 | ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER | ASTRAZENECA AB (SE) | 2007-12-06 | — | — | WO | claimed |