Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 6/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 6/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | FLT1 | P17948 | 1/20 | 0.41 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16502521 | 0.88 | HCAR2 (0.46) | CYP17A1CYP11B1CYP11B2CYP3A4CHEK2 | |
| SCHEMBL16502773 | 0.87 | HTR5A (0.48) | — | |
| SCHEMBL16502517 | 0.84 | CYP11B1 (0.47) | CYP17A1CYP11B1CYP11B2CYP3A4DYRK1A | |
| SCHEMBL578353 | 0.75 | CHEK2 (0.55) | MKNK1MKNK2CHEK2DYRK1APLK4 | |
| SCHEMBL30338453 | 0.74 | BCAT2 (0.54) | CYP11B1CYP11B2HPGDSMKNK1MKNK2 | |
| SCHEMBL16502534 | 0.73 | HCAR2 (0.46) | MKNK1MKNK2PIM1CSNK2A1PIM2 | |
| SCHEMBL7920221 | 0.72 | MKNK1 (0.46) | MKNK1MKNK2 | |
| SCHEMBL16502470 | 0.70 | KMO (0.61) | CYP17A1CYP11B1CYP11B2CYP3A4MKNK1 | |
| SCHEMBL4828417 | 0.70 | PLAU (0.39) | MKNK1MKNK2PARP1ROCK1SIRT2 | |
| SCHEMBL578771 | 0.70 | PLK4 (0.57) | MKNK2CHEK2PARP1DYRK1APLK4 |
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-2010090304-A1 | ACYLGUANIDINE DERIVATIVE | アステラス製薬株式会社 (JP) | 2010-08-12 | — | — | WO | disclosed |