Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.39 |
| ▸ | DDR1 | Q08345 | 4/20 | 0.37 |
| ▸ | DDR2 | Q16832 | 4/20 | 0.37 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | FPR1 | P21462 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7993332 | 0.90 | ROCK2 (0.45) | ROCK2DDR1DDR2CYP3A4ALDH1A1 | |
| SCHEMBL7655182 | 0.89 | ROCK2 (0.42) | ROCK2CYP3A4 | |
| SCHEMBL7660384 | 0.80 | ROCK2 (0.51) | ROCK2CYP3A4ALDH1A1MAPTHSD17B10 | |
| SCHEMBL7660601 | 0.80 | MAPT (0.44) | ROCK2L3MBTL3CYP3A4ALDH1A1MAPT | |
| SCHEMBL7662103 | 0.79 | MAPT (0.45) | ROCK2CYP3A4MAPTHSD17B10ALOX15 | |
| SCHEMBL7655775 | 0.79 | ROCK2 (0.46) | ROCK2CYP3A4ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7653098 | 0.79 | MAPT (0.43) | ROCK2L3MBTL3CYP3A4ALDH1A1MAPT | |
| SCHEMBL7659472 | 0.79 | ROCK2 (0.43) | ROCK2CYP3A4ALDH1A1MAPTHSD17B10 | |
| SCHEMBL7654987 | 0.79 | ROCK2 (0.43) | ROCK2DDR1DDR2L3MBTL3CYP3A4 | |
| SCHEMBL6295077 | 0.78 | ROCK2 (0.58) | ROCK2CYP3A4 |
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 |