Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WEE1 | P30291 | 7/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 6/20 | 0.40 |
| ▸ | CDK1 | P06493 | 2/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 4/20 | 0.39 |
| ▸ | CDK4 | P11802 | 4/20 | 0.39 |
| ▸ | CCND1 | P24385 | 4/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.39 |
| ▸ | CDK2 | P24941 | 4/20 | 0.39 |
| ▸ | CAMK2B | Q13554 | 4/20 | 0.39 |
| ▸ | CAMK2G | Q13555 | 4/20 | 0.39 |
| ▸ | CAMK2D | Q13557 | 4/20 | 0.39 |
| ▸ | CAMK2A | Q9UQM7 | 4/20 | 0.39 |
| ▸ | PRKACA | P17612 | 3/20 | 0.39 |
| ▸ | PRKACG | P22612 | 3/20 | 0.39 |
| ▸ | PRKACB | P22694 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3174237 | 0.88 | CHEK1 (0.47) | WEE1CHEK1CDK1CCNE2CDK4 | |
| SCHEMBL8557009 | 0.88 | CHEK1 (0.47) | WEE1CHEK1CDK1CCNE2CDK4 | |
| SCHEMBL8554507 | 0.87 | SIGMAR1 (0.47) | WEE1CHEK1CDK1CCNE2CDK4 | |
| SCHEMBL4910767 | 0.86 | CHEK1 (0.50) | WEE1CHEK1CDK1CCNE2CDK4 | |
| SCHEMBL7983134 | 0.85 | HTR7 (0.57) | HTR1AHTR7DRD3DRD2HTR2A | |
| SCHEMBL8558051 | 0.85 | CHEK1 (0.49) | WEE1CHEK1CDK1CCNE2CDK4 | |
| SCHEMBL8559090 | 0.85 | CHEK1 (0.49) | WEE1CHEK1CDK1CCNE2CDK4 | |
| SCHEMBL8554694 | 0.85 | CHEK1 (0.49) | WEE1CHEK1CDK1CCNE2CDK4 | |
| SCHEMBL7986525 | 0.83 | CCR3 (0.56) | — | |
| SCHEMBL8557596 | 0.83 | CHEK1 (0.44) | WEE1CHEK1CDK1CCNE2CDK4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5760054-A | BENIGN PROSTATIC HYPERTROPHY | MERCK & CO., INC. (US) | 1998-06-02 | — | — | US | disclosed |
| EP-0755392-A4 | ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1997-05-02 | — | — | EP | disclosed |
| EP-0755392-A1 | ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1997-01-29 | — | — | EP | disclosed |
| WO-1995028397-A1 | ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-10-26 | — | — | WO | disclosed |