Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR9 | P51686 | 1/20 | 0.42 |
| ▸ | PDE9A | O76083 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 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 | |
|---|---|---|---|---|
| SCHEMBL28057475 | 0.81 | CCR9 (0.42) | CCR9PTGDR2KDM4EALDH1A1MDM2 | |
| SCHEMBL17684714 | 0.80 | CCR9 (0.44) | CCR9PDE9APTGDR2KDM4EALDH1A1 | |
| SCHEMBL17684539 | 0.79 | CCR9 (0.56) | CCR9PDE9APTGDR2MDM2 | |
| SCHEMBL28057555 | 0.72 | RORC (0.43) | PTGDR2KDM4ECYP3A4MAPTMAPK1 | |
| SCHEMBL17684484 | 0.72 | RORC (0.54) | PTGDR2KDM4ECYP3A4 | |
| SCHEMBL28057442 | 0.72 | CYP11B1 (0.41) | KDM4EALDH1A1 | |
| SCHEMBL14476565 | 0.68 | ALOX5AP (0.40) | CCR9PTGDR2KDM4EALDH1A1ALOX5AP | |
| SCHEMBL28261191 | 0.66 | KCNH2 (0.66) | KDM4EALDH1A1CCR1 | |
| SCHEMBL17735994 | 0.65 | L3MBTL1 (0.52) | MAPT | |
| SCHEMBL17684528 | 0.64 | CCR9 (0.48) | CCR9PTGDR2KDM4EALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105431416-A | 4-alkynyl imidazole derivative and medicine comprising same as active ingredient | KAKEN PHARMA CO LTD | 2016-03-23 | — | — | CN | disclosed |