Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 9/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 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 | |
|---|---|---|---|---|
| SCHEMBL7654464 | 0.88 | ROCK2 (0.41) | ROCK2TP53 | |
| SCHEMBL7661456 | 0.87 | RORC (0.47) | ROCK2LMNATP53 | |
| Hydrochloric Acid SCHEMBL6293630 | 0.82 | ROCK2 (0.57) | ROCK2S1PR1 | |
| SCHEMBL7009661 | 0.81 | RORC (0.49) | ROCK2NPY2R | |
| Hydrochloric Acid SCHEMBL7007842 | 0.80 | RORC (0.48) | ROCK2NPY2R | |
| SCHEMBL7652942 | 0.77 | MAPT (0.47) | ROCK2TP53 | |
| SCHEMBL8145389 | 0.77 | ROCK2 (0.53) | ROCK2S1PR1TP53 | |
| SCHEMBL7653696 | 0.77 | MAPT (0.61) | LMNATP53 | |
| SCHEMBL7655014 | 0.76 | ALDH1A1 (0.39) | ROCK2S1PR1TP53NPY2R | |
| SCHEMBL7655483 | 0.75 | MAPT (0.43) | LMNATP53 |
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 |