Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3323311 | 0.82 | ALOX5 (0.39) | ALOX5CES2CES1KEAP1GAA | |
| SCHEMBL515707 | 0.76 | ALOX5 (0.42) | ALOX5CES2CES1KEAP1GAA | |
| SCHEMBL5027606 | 0.70 | ALOX5 (0.51) | ALOX5CES2CES1KEAP1GAA | |
| SCHEMBL13163250 | 0.70 | ALOX5 (0.51) | ALOX5CES2CES1KEAP1GAA | |
| SCHEMBL7955355 | 0.70 | CES2 (0.61) | ALOX5CES2CES1KEAP1OPRM1 | |
| SCHEMBL8853390 | 0.68 | ALOX5 (0.50) | ALOX5CES2CES1KEAP1GAA | |
| SCHEMBL2370715 | 0.68 | ALOX5 (0.59) | ALOX5CES2CES1KEAP1GAA | |
| SCHEMBL602500 | 0.68 | ALOX5 (0.50) | ALOX5CES2CES1KEAP1OPRM1 | |
| SCHEMBL10208107 | 0.68 | ALOX5 (0.59) | ALOX5CES2CES1KEAP1GAA | |
| SCHEMBL9814779 | 0.68 | ALOX5 (0.50) | ALOX5CES2CES1KEAP1POLB |
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-2252589-A2 | 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME | Aerie Pharmaceuticals, Inc. (US) | 2010-11-24 | — | — | EP | claimed |
| WO-2009091898-A2 | 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME | AERIE PHARMACEUTICALS, INC. (US) | 2009-07-23 | — | — | WO | claimed |