Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K4 | P45985 | 9/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.46 |
| ▸ | MAPKAPK3 | Q16644 | 5/20 | 0.46 |
| ▸ | MAPK6 | Q16659 | 5/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.46 |
| ▸ | MAPKAPK5 | Q8IW41 | 3/20 | 0.46 |
| ▸ | TTK | P33981 | 1/20 | 0.46 |
| ▸ | ITK | Q08881 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | FADS1 | O60427 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14577786 | 0.82 | MAPK1 (0.48) | MAPK1TTKITKKDM4ECNR2 | |
| SCHEMBL15657239 | 0.82 | PDPK1 (0.53) | MAPK1TTKCNR2FADS1 | |
| SCHEMBL7377748 | 0.82 | TTK (0.44) | MAPK1TTKCNR2LRRK2 | |
| SCHEMBL7355452 | 0.81 | MAP2K4 (0.50) | MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2 | |
| SCHEMBL1411962 | 0.78 | ALDH1A1 (0.44) | MAPK1TTKKDM4EALDH1A1GAA | |
| SCHEMBL8430557 | 0.77 | CNR1 (0.59) | MAPK1TTKKDM4EALDH1A1GAA | |
| SCHEMBL30696153 | 0.75 | MAP2K4 (0.49) | MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2 | |
| SCHEMBL7352631 | 0.74 | MAP2K4 (0.50) | MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2 | |
| SCHEMBL1415006 | 0.72 | MET (0.58) | MAPK1KDM4EALDH1A1GAA | |
| SCHEMBL12222 | 0.72 | MAP2K4 (0.57) | MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2 |
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-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | claimed |
| US-5763469-A | Substituted cyclic ureas and derivatives thereof useful as retroviral protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | disclosed |