Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDR1 | Q08345 | 1/20 | 0.43 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7657621 | 0.99 | DDR1 (0.42) | DDR1DDR2ROCK2MAPTKDM4E | |
| SCHEMBL7989876 | 0.92 | MAPT (0.47) | ROCK2MAPTKDM4EMEN1CYP2D6 | |
| SCHEMBL7653791 | 0.89 | MAPT (0.45) | DDR1DDR2ROCK2MAPTKDM4E | |
| SCHEMBL7993309 | 0.86 | ROCK2 (0.52) | ROCK2MAPTKDM4EMEN1HTT | |
| SCHEMBL7661417 | 0.86 | ROCK2 (0.44) | DDR1DDR2ROCK2MAPTMEN1 | |
| SCHEMBL7649761 | 0.86 | MAPT (0.46) | ROCK2MAPTMEN1KMT2ATP53 | |
| SCHEMBL6298344 | 0.86 | ROCK2 (0.56) | ROCK2MAPTTP53SMN1; SMN2THRB | |
| SCHEMBL7652898 | 0.85 | KIT (0.49) | DDR1DDR2BRAFKIT | |
| SCHEMBL7652847 | 0.84 | ROCK2 (0.46) | DDR1DDR2ROCK2MAPTKDM4E | |
| SCHEMBL7653787 | 0.84 | ROCK2 (0.43) | DDR1DDR2ROCK2MAPTMEN1 |
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 |