Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 5/20 | 0.41 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2171613 | 0.87 | EPHX2 (0.51) | CYP3A4CYP2C9GAAKDM4ELMNA | |
| SCHEMBL2172326 | 0.84 | RORC (0.41) | CYP3A4SCN9AKDM4ERORCLMNA | |
| SCHEMBL2357195 | 0.80 | SCN9A (0.45) | SCN9ALMNAMAPTMAPK14SMN1; SMN2 | |
| SCHEMBL2356374 | 0.80 | MAPK14 (0.48) | MAPK14 | |
| SCHEMBL2352923 | 0.75 | SCN9A (0.64) | CYP3A4CYP1A2CYP2C9GAASCN9A | |
| SCHEMBL11608799 | 0.73 | KMT2A (0.51) | CYP3A4GAAMMP13SCN9ALMNA | |
| SCHEMBL2352920 | 0.72 | S1PR1 (0.52) | GAASCN9AKDM4ERORCLMNA | |
| SCHEMBL2172986 | 0.72 | ALDH1A1 (0.40) | CYP3A4CYP1A2GAAMMP13KDM4E | |
| SCHEMBL2757955 | 0.72 | CYP1A2 (0.69) | CYP3A4CYP1A2CYP2C9GAAKDM4E | |
| SCHEMBL2171604 | 0.70 | SCN9A (0.44) | GAAMMP13SCN9AKDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2349252-A2 | SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | Exelixis, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |