Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7658055 | 0.93 | MAPT (0.45) | ROCK2CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL7653787 | 0.88 | ROCK2 (0.43) | ROCK2CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL7662369 | 0.88 | ROCK2 (0.49) | ROCK2CYP3A4NPC1RAB9AHDAC8 | |
| SCHEMBL7656209 | 0.85 | MAPT (0.47) | ROCK2CYP3A4NPC1RAB9AHDAC1 | |
| SCHEMBL7658605 | 0.83 | MAPT (0.46) | ROCK2CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL7655617 | 0.81 | ROCK2 (0.42) | ROCK2CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL7661417 | 0.81 | ROCK2 (0.44) | ROCK2CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL7764190 | 0.81 | ROCK2 (0.46) | ROCK2CYP3A4NPC1RAB9AHDAC8 | |
| SCHEMBL7652728 | 0.81 | L3MBTL3 (0.41) | ROCK2CYP3A4NPC1RAB9AMEN1 | |
| SCHEMBL7659357 | 0.79 | MEN1 (0.56) | ROCK2NPC1RAB9AMAPTHSD17B10 |
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 1 patent. 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 | disclosed |