Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.50 |
| ▸ | RORC | P51449 | 1/20 | 0.48 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6293739 | 0.83 | ROCK2 (0.69) | ROCK2RORCTMPRSS2CYP3A4 | |
| SCHEMBL7993309 | 0.82 | ROCK2 (0.52) | ROCK2RORCTMPRSS2MEN1POLB | |
| SCHEMBL7655629 | 0.80 | ROCK2 (0.50) | ROCK2RORCTMPRSS2MEN1POLB | |
| SCHEMBL6293978 | 0.80 | ROCK2 (0.56) | ROCK2RORCTMPRSS2S1PR1S1PR3 | |
| SCHEMBL6295101 | 0.79 | ROCK2 (0.57) | ROCK2RORCTMPRSS2MEN1KMT2A | |
| SCHEMBL7657907 | 0.78 | MAPT (0.63) | MEN1POLBKMT2ALMNAMAPT | |
| SCHEMBL7979562 | 0.78 | MAPT (0.50) | ROCK2MEN1POLBKMT2AMAPT | |
| SCHEMBL7653578 | 0.78 | RORC (0.47) | ROCK2RORCMEN1POLBKMT2A | |
| SCHEMBL7661456 | 0.77 | RORC (0.47) | ROCK2RORCTMPRSS2MEN1POLB | |
| SCHEMBL7007156 | 0.76 | ROCK2 (0.48) | ROCK2RORCTMPRSS2LMNAMAPT |
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 |