Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 2/20 | 0.49 |
| ▸ | CCNC | P24863 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | GAK | O14976 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.39 |
| ▸ | IDO1 | P14902 | 5/20 | 0.39 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.38 |
| ▸ | USP10 | Q14694 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.38 |
| ▸ | USP13 | Q92995 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16705392 | 0.84 | FERMT2 (0.49) | CDK8CCNCGAKFERMT2KDM4E | |
| SCHEMBL632884 | 0.80 | CDK8 (0.49) | CDK8CCNCPARP1GAKSLC22A12 | |
| SCHEMBL29373276 | 0.80 | CDK8 (0.49) | CDK8CCNCPARP1GAKSLC22A12 | |
| SCHEMBL17059461 | 0.79 | PARP1 (0.47) | CDK8CCNCPARP1GAKKDM4E | |
| SCHEMBL30976613 | 0.78 | CDK8 (0.47) | CDK8CCNCPARP1GAKSLC22A12 | |
| SCHEMBL18544878 | 0.76 | HTR1A (0.54) | PARP1SLC22A12KDM4EMAPT | |
| SCHEMBL729828 | 0.76 | SLC22A12 (0.49) | CDK8CCNCGAKSLC22A12MAPT | |
| SCHEMBL8123511 | 0.76 | KDM4E (0.37) | CDK8CCNCPARP1GAKKDM4E | |
| SCHEMBL16289172 | 0.76 | CDK8 (0.49) | CDK8CCNCPARP1GAKSLC22A12 | |
| SCHEMBL16248013 | 0.76 | CDK8 (0.49) | CDK8CCNCPARP1GAKSLC22A12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019141095-A1 | AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |
| WO-2018111315-A1 | PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF RORγ AND OTHER USES | REATA PHARMACEUTICALS, INC. (US) | 2018-06-21 | — | — | WO | disclosed |
| EP-2549875-B1 | SOLUBLE GUANYLATE CYCLASE ACTIVATORS | MERCK SHARP & DOHME (US) | 2015-05-13 | — | — | EP | disclosed |