Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL2044451 | 0.84 | ALDH1A1 (0.43) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL2043622 | 0.75 | ALDH1A1 (0.40) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL2044585 | 0.74 | ALDH1A1 (0.46) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL2053724 | 0.74 | ALDH1A1 (0.46) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL9111206 | 0.68 | CYP11B1 (0.41) | CYP11B1CYP11B2LMNATAS1R3TAS1R1 | |
| SCHEMBL4926597 | 0.67 | TAS1R3 (0.44) | ALDH1A1KMT2ACYP11B1CYP11B2HPGD | |
| SCHEMBL27320783 | 0.64 | POLB (0.38) | CYP11B1CYP11B2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL6617730 | 0.63 | F2 (0.59) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL2042913 | 0.62 | GSK3B (0.50) | ALDH1A1KDM4EKMT2AMEN1NPC1 | |
| SCHEMBL17320231 | 0.61 | HTT (0.61) | ALDH1A1KDM4EGAAKMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2516423-A1 | THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI | Bayer CropScience AG (DE) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011076725-A1 | THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI | BAYER CROPSCIENCE AG (DE) | 2011-06-30 | — | — | WO | disclosed |