Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.60 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 10/20 | 0.47 |
| ▸ | MAPK13 | O15264 | 4/20 | 0.47 |
| ▸ | MAPK12 | P53778 | 4/20 | 0.47 |
| ▸ | MAPK11 | Q15759 | 4/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.43 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6076416 | 0.83 | MAPK14 (0.51) | S1PR1RIPK3MAPK14MAPK13MAPK12 | |
| SCHEMBL1646195 | 0.82 | S1PR1 (0.52) | S1PR1RIPK3MAPK14KDRNPC1 | |
| SCHEMBL5451477 | 0.81 | MAPK14 (0.47) | S1PR1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL6077636 | 0.80 | S1PR1 (0.44) | S1PR1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL1555097 | 0.79 | S1PR1 (0.44) | S1PR1RIPK3MAPK14MAPK13MAPK12 | |
| SCHEMBL1647835 | 0.79 | PTGS1 (0.54) | S1PR1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL773853 | 0.77 | S1PR1 (1.00) | S1PR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6078034 | 0.76 | MAPK14 (0.58) | S1PR1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL10413532 | 0.75 | MAPK14 (0.59) | S1PR1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL774221 | 0.73 | S1PR1 (0.70) | S1PR1NPC1ALDH1A1MAPTNFKB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2784070-A1 | 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES | Bayer CropScience AG (DE) | 2014-10-01 | — | — | EP | disclosed |
| EP-2784072-A1 | 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES | Bayer CropScience AG (DE) | 2014-10-01 | — | — | EP | disclosed |
| EP-2784071-A1 | 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES | Bayer CropScience AG (DE) | 2014-10-01 | — | — | EP | disclosed |
| EP-2784073-A1 | 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES | Bayer CropScience AG (DE) | 2014-10-01 | — | — | EP | disclosed |
| EP-2308866-A1 | Phenylpyri(mi)dinylpyrazoles and their use as fungicides | Bayer CropScience AG (DE) | 2011-04-13 | — | — | EP | disclosed |