Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | KLK1 | P06870 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | BMPR2 | Q13873 | 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 | |
|---|---|---|---|---|
| SCHEMBL10066957 | 0.89 | ROCK2 (0.44) | ENPP2ROCK2F10ROCK1KLKB1 | |
| SCHEMBL10066564 | 0.77 | ROCK2 (0.72) | ROCK2 | |
| SCHEMBL10066959 | 0.77 | ROCK2 (0.70) | ROCK2ROCK1 | |
| SCHEMBL10066598 | 0.72 | ENPP2 (0.67) | ENPP2MAPK1ROCK2F10ROCK1 | |
| SCHEMBL10425856 | 0.68 | MAPT (0.52) | MAPTTSHRALOX15MAPK1 | |
| SCHEMBL30005873 | 0.68 | F10 (0.59) | ENPP2ROCK2F10KDM1AMAOA | |
| SCHEMBL15600277 | 0.66 | CYP1A2 (0.59) | TSHRENPP2ROCK2F10KDM1A | |
| SCHEMBL30940553 | 0.65 | F10 (0.60) | ENPP2ROCK2F10KDM1AMAOA | |
| SCHEMBL27550934 | 0.65 | CYP17A1 (0.61) | ENPP2GSK3B | |
| SCHEMBL2828029 | 0.65 | F10 (0.57) | ENPP2ROCK2F10KDM1AMAOA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012006203-A1 | N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-12 | — | — | WO | disclosed |