Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 9/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.42 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7674254 | 0.80 | CYP11B1 (0.45) | CYP11B1CYP11B2MKNK2ROCK2MAP4K4 | |
| SCHEMBL91481 | 0.78 | CYP11B1 (0.46) | CYP11B1CYP11B2MKNK2ROCK2MAP4K4 | |
| SCHEMBL28417135 | 0.78 | CYP11B1 (0.39) | CYP11B1CYP11B2MKNK2ROCK2MAP4K4 | |
| SCHEMBL4444660 | 0.77 | HDAC4 (0.43) | CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL1162423 | 0.77 | ALDH1A1 (0.52) | CYP1A1CYP1B1 | |
| SCHEMBL14993763 | 0.77 | CHRM2 (0.38) | CYP11B1CYP11B2ROCK2ROCK1KCNH2 | |
| SCHEMBL14993745 | 0.77 | GRIN1 (0.40) | GRIN1GRIN2B | |
| Formamide SCHEMBL28048194 | 0.76 | MKNK2 (0.40) | CYP11B1CYP11B2MKNK2ROCK2MAP4K4 | |
| SCHEMBL2681872 | 0.76 | CYP11B1 (0.45) | CYP11B1CYP11B2MKNK2ROCK2MAP4K4 | |
| SCHEMBL22774749 | 0.76 | CYP11B1 (0.45) | CYP11B1CYP11B2MKNK2ROCK2MAP4K4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2785705-A1 | CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF | AiCuris GmbH & Co. KG (DE) | 2014-10-08 | — | — | EP | disclosed |
| WO-2013079586-A1 | CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF | AICURIS GMBH & CO. KG (DE) | 2013-06-06 | — | — | WO | disclosed |
| EP-2079729-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008058037-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2008-05-15 | — | — | WO | disclosed |