Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.44 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | SCN1A | P35498 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11398188 | 0.83 | TDP1 (0.56) | ALDH1A1CYP1A2TDP1L3MBTL1MAPT | |
| SCHEMBL5466810 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP1A2TDP1L3MBTL1MAPT | |
| SCHEMBL4099183 | 0.79 | TDP1 (0.49) | ALDH1A1CYP1A2TDP1L3MBTL1MAPT | |
| SCHEMBL283180 | 0.78 | SMN1; SMN2 (0.47) | ALDH1A1CYP1A2TDP1L3MBTL1MAPT | |
| SCHEMBL27738198 | 0.78 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNATSHRSMN1; SMN2 | |
| SCHEMBL27695016 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CYP1A2TDP1L3MBTL1MAPT | |
| SCHEMBL15971290 | 0.77 | CA12 (0.67) | ALDH1A1CYP1A2TDP1L3MBTL1MAPT | |
| SCHEMBL50994 | 0.77 | TSHR (0.54) | ALDH1A1CYP1A2TDP1L3MBTL1MAPT | |
| SCHEMBL10561907 | 0.77 | CA12 (0.47) | L3MBTL1MAPTLMNATSHRKDM4E | |
| SCHEMBL283363 | 0.77 | TDP1 (0.68) | ALDH1A1CYP1A2TDP1L3MBTL1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102307871-A | Isoindolinone and related analogs as sirtuin modulators | SIRTRIS PHARMACEUTICALS INC | 2012-01-04 | — | — | CN | disclosed |
| CN-101495450-A | Isoindole derivatives useful for treating pain, gastrointestinal diseases and cancer | ASTRAZENECA AB (SE) | 2009-07-29 | — | — | CN | disclosed |
| 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 |