Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 4/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5555021 | 0.88 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DENPP2 | |
| SCHEMBL5570870 | 0.79 | KIF11 (0.41) | PDE4APDE4BPDE4CPDE4DENPP2 | |
| Hydrochloric Acid SCHEMBL6014139 | 0.76 | PDE4A (0.70) | PDE4APDE4BPDE4CPDE4DENPP2 | |
| SCHEMBL5555306 | 0.75 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4DENPP2 | |
| SCHEMBL5555670 | 0.75 | PDE4A (0.60) | PDE4APDE4BPDE4CPDE4DENPP2 | |
| SCHEMBL5555712 | 0.71 | KIF11 (0.46) | PDE4APDE4BPDE4CPDE4DENPP2 | |
| SCHEMBL5738140 | 0.70 | PDE4B (0.69) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL5106687 | 0.70 | LMNA (0.50) | PDE4APDE4BPDE4CPDE4DENPP2 | |
| SCHEMBL5740040 | 0.69 | MEN1 (0.41) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL5749679 | 0.68 | MEN1 (0.46) | PDE4APDE4BPDE4CPDE4DALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1517904-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2007-02-21 | — | — | EP | disclosed |
| EP-1517904-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004039774-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2004-05-13 | — | — | WO | disclosed |