Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 5/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | CCNK | O75909 | 1/20 | 0.37 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17777000 | 1.00 | MAPK14 (0.41) | MAPK14NOS3NOS1NOS2CCNK | |
| SCHEMBL2048413 | 0.87 | MAPK14 (0.46) | MAPK14NOS3NOS1NOS2CCNK | |
| SCHEMBL16754485 | 0.87 | MAPK14 (0.46) | MAPK14NOS3NOS1NOS2CCNK | |
| SCHEMBL16754749 | 0.87 | MAPK14 (0.46) | MAPK14NOS3NOS1NOS2CCNK | |
| SCHEMBL17778616 | 0.81 | ALDH1A1 (0.36) | MAPK14CCNKCDK12KDM4EMEN1 | |
| SCHEMBL17778326 | 0.81 | ALDH1A1 (0.36) | MAPK14CCNKCDK12KDM4EMEN1 | |
| SCHEMBL12012111 | 0.80 | NFE2L2 (0.47) | MAPK14CA2 | |
| SCHEMBL17778156 | 0.80 | ALDH1A1 (0.35) | MAPK14CCNKCDK12KDM4EMEN1 | |
| SCHEMBL16775792 | 0.80 | NOS3 (0.43) | NOS3NOS1NOS2CCNKCDK12 | |
| SCHEMBL16775791 | 0.80 | NOS3 (0.43) | NOS3NOS1NOS2CCNKCDK12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016079711-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-05-26 | — | — | WO | disclosed |