Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDR1 | Q08345 | 1/20 | 0.40 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | RARA | P10276 | 3/20 | 0.36 |
| ▸ | RARB | P10826 | 3/20 | 0.36 |
| ▸ | RARG | P13631 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7653759 | 0.82 | ROCK2 (0.42) | DDR1DDR2ROCK2RAB9ARARA | |
| SCHEMBL7993332 | 0.80 | ROCK2 (0.45) | DDR1DDR2ROCK2RARARARB | |
| SCHEMBL7652080 | 0.76 | DDR1 (0.43) | DDR1DDR2MAPTTP53ROCK2 | |
| SCHEMBL7652898 | 0.76 | KIT (0.49) | DDR1DDR2EGFRBRAF | |
| Hydrochloric Acid SCHEMBL7657621 | 0.76 | DDR1 (0.42) | DDR1DDR2MAPTTP53ROCK2 | |
| SCHEMBL7989876 | 0.75 | MAPT (0.47) | MAPTTP53ROCK2RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL7658653 | 0.75 | KIT (0.48) | DDR1DDR2EGFRBRAF | |
| SCHEMBL7653791 | 0.75 | MAPT (0.45) | DDR1DDR2MAPTLMNATP53 | |
| SCHEMBL6295053 | 0.74 | ROCK2 (0.52) | MAPTLMNAROCK2RAB9ANPC1 | |
| SCHEMBL7649723 | 0.74 | NPC1 (0.52) | DDR1DDR2MAPTROCK2RAB9A |
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 |