Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.49 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL5738140 | 0.84 | PDE4B (0.69) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5144517 | 0.84 | KIF11 (0.45) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5740040 | 0.82 | MEN1 (0.41) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5784852 | 0.80 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5142334 | 0.80 | MEN1 (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5739526 | 0.80 | KIF11 (0.46) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5739542 | 0.80 | PDE4A (0.45) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5103773 | 0.80 | PDE4A (0.60) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5740272 | 0.79 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5738555 | 0.79 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DPDE3B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1551962-A4 | MITOTIC KINESIN BINDING SITE | MERCK & CO INC (US) | 2007-08-01 | — | — | EP | disclosed |
| EP-1463733-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2006-01-11 | — | — | EP | disclosed |
| EP-1551962-A2 | MITOTIC KINESIN BINDING SITE | Merck & Co., Inc. (US) | 2005-07-13 | — | — | EP | disclosed |
| EP-1463733-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2004-10-06 | — | — | EP | disclosed |
| WO-2004004652-A2 | MITOTIC KINESIN BINDING SITE | MERCK & CO., INC. (US) | 2004-01-15 | — | — | WO | disclosed |
| WO-2003050064-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-06-19 | — | — | WO | disclosed |