Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 2/20 | 0.31 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.31 |
| ▸ | DDR2 | Q16832 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7652048 | 0.81 | NPC1 (0.37) | NPC1RAB9AKMT2ALMNAROCK2 | |
| SCHEMBL7662349 | 0.81 | MAPT (0.34) | RAB9AKMT2ADDR1DDR2SMN1; SMN2 | |
| SCHEMBL7658810 | 0.80 | NPC1 (0.37) | NPC1RAB9AKMT2ALMNARORC | |
| SCHEMBL7993332 | 0.80 | ROCK2 (0.45) | KMT2AROCK2DDR1DDR2CYP1A2 | |
| SCHEMBL7658138 | 0.79 | MAPT (0.49) | NPC1KMT2ALMNASMN1; SMN2HSD17B10 | |
| SCHEMBL7656813 | 0.79 | POLB (0.48) | NPC1RAB9AKMT2ALMNASMN1; SMN2 | |
| SCHEMBL7654513 | 0.78 | HDAC8 (0.38) | NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL7653027 | 0.78 | MAPT (0.41) | NPC1RAB9AKMT2ALMNASMN1; SMN2 | |
| SCHEMBL7651449 | 0.78 | MAPT (0.46) | NPC1RAB9AKMT2ALMNASMN1; SMN2 | |
| SCHEMBL7654422 | 0.78 | NPSR1 (0.45) | NPC1RAB9AKMT2ALMNAROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | claimed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |