Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.43 |
| ▸ | ATIC | P31939 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6031976 | 0.96 | PARP1 (0.51) | PARP1MAP4K4ADORA1ATICVNN1 | |
| SCHEMBL2712751 | 0.94 | MRGPRX4 (0.49) | PARP1MAP4K4ADORA1MRGPRX4CA1 | |
| SCHEMBL2713727 | 0.85 | MRGPRX4 (0.49) | PARP1MAP4K4ADORA1MRGPRX4CA1 | |
| SCHEMBL13555496 | 0.81 | MRGPRX4 (0.55) | MRGPRX4CA1CA2CA9MEP1B | |
| SCHEMBL2710646 | 0.80 | PARP1 (0.45) | PARP1ADORA1MRGPRX4CA1CA2 | |
| SCHEMBL2711241 | 0.79 | MRGPRX4 (0.54) | MAP4K4MRGPRX4CA1CA2CA9 | |
| SCHEMBL2710917 | 0.78 | MYC (0.47) | PARP1ADORA1ATICPARP2 | |
| SCHEMBL2711098 | 0.77 | MRGPRX4 (0.46) | PARP1ADORA1MRGPRX4CA1CA2 | |
| SCHEMBL3859503 | 0.73 | GSK3B (0.50) | MEP1BATICPLA2G2AVNN1AR | |
| SCHEMBL28995748 | 0.73 | FOLH1 (0.51) | MRGPRX4CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2630144-A1 | RHO KINASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2013-08-28 | — | — | EP | disclosed |
| WO-2012054367-A1 | RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-26 | — | — | WO | disclosed |