Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | LIPE | Q05469 | 6/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4786480 | 0.87 | HDAC6 (0.39) | HDAC1HDAC6GLACA1CA2 | |
| SCHEMBL16599330 | 0.83 | TAS1R3 (0.43) | NPSR1 | |
| SCHEMBL2214140 | 0.83 | MAPK14 (0.43) | CA1CA2CA9KMT2AALDH1A1 | |
| SCHEMBL397041 | 0.82 | TSHR (0.41) | CA1CA2CA9KMT2AMEN1 | |
| SCHEMBL14217297 | 0.82 | CYP2A6 (0.38) | CA1CA2CA9KMT2AMEN1 | |
| SCHEMBL3228174 | 0.82 | CXCR2 (0.55) | CA1CA2CA9CXCR2KMT2A | |
| SCHEMBL2717824 | 0.81 | L3MBTL1 (0.45) | CA1CA2CA9KMT2AMEN1 | |
| SCHEMBL21911828 | 0.81 | NPC1 (0.50) | CA1CA2CA9CXCR2KMT2A | |
| SCHEMBL380118 | 0.81 | GLA (0.50) | GLAKMT2AMEN1NPC1RAB9A | |
| SCHEMBL16566639 | 0.81 | THRB (0.51) | CA1CA2CA9CXCR2KMT2A |
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-2344472-A1 | ISOQUINOLINONE DERIVATIVES | AstraZeneca AB (SE) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010039079-A1 | ISOQUINOLINONE DERIVATIVES | ASTRAZENECA AB (SE) | 2010-04-08 | — | — | WO | disclosed |