Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KB | Q9UBF8 | 12/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.42 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL655360 | 0.92 | PI4KB (0.65) | PI4KBKCNH2CYP3A4P2RY12LIMK2 | |
| SCHEMBL655111 | 0.88 | PI4KB (0.45) | PI4KBKCNH2SMN1; SMN2 | |
| SCHEMBL654888 | 0.79 | PI4KB (0.62) | PI4KBKCNH2CYP3A4SMN1; SMN2NLRP3 | |
| SCHEMBL655147 | 0.78 | PI4KB (0.48) | PI4KB | |
| SCHEMBL652076 | 0.76 | PI4KB (0.63) | PI4KBKCNH2CYP3A4SMN1; SMN2NLRP3 | |
| SCHEMBL653361 | 0.76 | PI4KB (0.65) | PI4KBKCNH2SMN1; SMN2 | |
| SCHEMBL651832 | 0.73 | HSP90AA1 (0.47) | PI4KB | |
| SCHEMBL653385 | 0.73 | PI4KB (0.74) | PI4KBKCNH2CYP3A4LIMK2FAAH | |
| SCHEMBL16163392 | 0.73 | PI4KB (0.64) | PI4KBKCNH2CYP3A4SMN1; SMN2NLRP3 | |
| SCHEMBL17964555 | 0.73 | PI4KB (1.00) | PI4KBKCNH2LIMK2FAAH |
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 |
|---|---|---|---|---|---|---|---|
| EP-2616077-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012035423-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-03-22 | — | — | WO | disclosed |