Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11920697 | 0.73 | NPC1 (0.38) | NPC1LMNAALDH1A1L3MBTL1RAB9A | |
| SCHEMBL4280628 | 0.72 | KMT2A (0.31) | LMNAALDH1A1L3MBTL1KMT2A | |
| SCHEMBL7992156 | 0.70 | NPC1 (0.35) | NPC1LMNAALDH1A1L3MBTL1RAB9A | |
| SCHEMBL11920867 | 0.68 | JAK2 (0.32) | JAK2JAK1NPC1RAB9A | |
| SCHEMBL11040872 | 0.68 | OPRM1 (0.63) | LMNAALDH1A1OPRM1 | |
| SCHEMBL3219496 | 0.67 | APP (0.50) | NPC1LMNARAB9AHSD11B1KMT2A | |
| SCHEMBL11044923 | 0.66 | NPC1 (0.46) | NPC1LMNAALDH1A1L3MBTL1RAB9A | |
| SCHEMBL612754 | 0.65 | OPRM1 (0.43) | NPC1RAB9AOPRM1 | |
| SCHEMBL8004121 | 0.65 | MAOB (0.37) | JAK2JAK1NPC1RAB9A | |
| SCHEMBL14341371 | 0.65 | SLC6A3 (0.41) | NPC1ALDH1A1L3MBTL1RAB9AOPRM1 |
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-2303846-B1 | SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS | SANOFI SA (FR) | 2015-04-29 | — | — | EP | disclosed |
| US-8541449-B2 | Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors | SANOFI (FR) | 2013-09-24 | — | — | US | disclosed |
| WO-2009156100-A1 | SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS | SANOFI-AVENTIS (FR) | 2009-12-30 | — | — | WO | disclosed |