Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.41 |
| ▸ | AKT2 | P31751 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | CLK3 | P49761 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | FCER2 | P06734 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7224411 | 1.00 | ROCK2 (0.41) | ROCK2AKT2CYP3A4PDK2PDK4 | |
| SCHEMBL7233622 | 0.90 | ACHE (0.44) | — | |
| SCHEMBL7233617 | 0.90 | ACHE (0.44) | — | |
| SCHEMBL7227045 | 0.89 | KDM1A (0.39) | ROCK2AKT2PDPK1FCER2SYK | |
| SCHEMBL7227041 | 0.89 | KDM1A (0.39) | ROCK2AKT2PDPK1FCER2SYK | |
| SCHEMBL7227276 | 0.89 | JAK3 (0.42) | ROCK2AKT2PDK2PDK4CLK2 | |
| SCHEMBL7227283 | 0.89 | JAK3 (0.42) | ROCK2AKT2PDK2PDK4CLK2 | |
| SCHEMBL6982529 | 0.88 | ROCK2 (0.43) | ROCK2CYP3A4CYP2C19SLC2A1 | |
| SCHEMBL6982535 | 0.88 | ROCK2 (0.43) | ROCK2CYP3A4CYP2C19SLC2A1 | |
| SCHEMBL7233897 | 0.88 | NAMPT (0.41) | ROCK2AKT2CYP3A4LSSPDPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6545035-B1 | Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-04-08 | — | — | US | disclosed |
| US-6319918-B1 | FOR LYMPHOMA OR SOLID TUMORS TREATMENT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-11-20 | — | — | US | disclosed |