Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | USP2 | O75604 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 3/20 | 0.35 |
| ▸ | MERTK | Q12866 | 3/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.35 |
| ▸ | AXL | P30530 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL1645407 | 0.90 | BRAF (0.37) | CYP1A2HSD17B10USP2ALDH1A1CASP1 | |
| SCHEMBL1645345 | 0.79 | GRM5 (0.37) | HSD17B10ALDH1A1BRAFFLT3KDR | |
| SCHEMBL1646295 | 0.77 | BRAF (0.40) | CYP1A2CYP3A4TSHRHSD17B10USP2 | |
| SCHEMBL1646733 | 0.76 | PTGS2 (0.44) | BRAFKDRMAPK1MEN1KMT2A | |
| SCHEMBL1646367 | 0.76 | JAK2 (0.41) | KDRFGFR1AURKARETCLK4 | |
| SCHEMBL1647433 | 0.75 | DYRK1A (0.45) | CYP3A4USP2ALDH1A1BRAFKDR | |
| SCHEMBL1646894 | 0.75 | DYRK1A (0.46) | CYP1A2CYP3A4TSHRHSD17B10USP2 | |
| SCHEMBL26112883 | 0.72 | EGFR (0.40) | CYP1A2CYP3A4TSHRHSD17B10USP2 | |
| SCHEMBL1648278 | 0.72 | AURKB (0.48) | BRAFAURKACYP2D6 | |
| SCHEMBL26115718 | 0.72 | NPC1 (0.41) | CYP1A2CYP3A4TSHRHSD17B10USP2 |
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-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-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-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-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-2308866-A1 | Phenylpyri(mi)dinylpyrazoles and their use as fungicides | Bayer CropScience AG (DE) | 2011-04-13 | — | — | EP | disclosed |