Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | EIF4E | P06730 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 4/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | UGCG | Q16739 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16957729 | 0.83 | EPAS1 (0.35) | AR | |
| SCHEMBL8327036 | 0.83 | CYP1A2 (0.40) | ALKEIF4EMKNK1MKNK2IRAK4 | |
| SCHEMBL16959958 | 0.83 | IRAK4 (0.38) | ALKEIF4EMKNK1MKNK2IRAK4 | |
| SCHEMBL16951588 | 0.83 | AR (0.47) | ARALDH1A1 | |
| SCHEMBL16961573 | 0.80 | XDH (0.38) | ALKEIF4EMKNK1MKNK2IRAK4 | |
| SCHEMBL16957800 | 0.79 | EIF4E (0.39) | ALKEIF4EMKNK1MKNK2IRAK4 | |
| SCHEMBL18525652 | 0.79 | P2RX3 (0.38) | KCNH2ALDH1A1LMNAPOLBMAPT | |
| SCHEMBL16956583 | 0.79 | TRPV4 (0.52) | TRPV4ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL13257964 | 0.77 | P2RX3 (0.39) | ALDH1A1LMNAPOLBMAPTALOX12 | |
| SCHEMBL6935704 | 0.77 | ALDH1A1 (0.41) | IRAK4BRPF1ALDH1A1LMNAPOLB |
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-2017004609-A1 | THIADIAZOLE MODULATORS OF S1P AND METHODS OF MAKING AND USING | EXELIXIS, INC. (US) | 2017-01-05 | — | — | WO | disclosed |
| WO-2017004608-A1 | OXADIAZOLE MODULATORS OF S1P METHODS OF MAKING AND USING | EXELIXIS, INC. (US) | 2017-01-05 | — | — | WO | disclosed |
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |