Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | PDE2A | O00408 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | KCNB1 | Q14721 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.35 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.34 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3353119 | 0.89 | KCNH2 (0.47) | KCNH2PDE2ASCN9AGPR139ACACB | |
| SCHEMBL3346026 | 0.88 | KCNH2 (0.58) | KCNH2ROCK2ROCK1CHRNA7KCNA5 | |
| SCHEMBL3350848 | 0.87 | ROCK2 (0.41) | KCNH2ROCK2ROCK1CHRNA7KCNA5 | |
| SCHEMBL3346452 | 0.85 | KCNH2 (0.48) | KCNH2ROCK2PDE2AGPR139ACACB | |
| SCHEMBL3350854 | 0.83 | KCNH2 (0.49) | KCNH2ROCK2ROCK1 | |
| SCHEMBL3346260 | 0.83 | KCNH2 (0.51) | KCNH2ROCK2ROCK1CHRNA7KCNA5 | |
| SCHEMBL13365135 | 0.82 | KCNH2 (0.57) | KCNH2PDE2ACHRNA7SCN9AGPR139 | |
| SCHEMBL3346572 | 0.80 | KCNH2 (0.51) | KCNH2ROCK2ROCK1PDE2AACACB | |
| SCHEMBL3346217 | 0.80 | KCNH2 (0.51) | KCNH2PDE2AGPR139ACACB | |
| SCHEMBL3346554 | 0.79 | KCNH2 (0.48) | KCNH2ROCK2ROCK1PDE2AHCRTR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010059922-A1 | PYRROLIDINE CARBOXAMIDE COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2010-05-27 | — | — | WO | claimed |
| WO-2010059922-A1 | PYRROLIDINE CARBOXAMIDE COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2010-05-27 | — | — | WO | disclosed |