Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13187181 | 0.85 | ERCC1 (0.39) | ERCC1ERCC4HTR2ATP53HTR1A | |
| SCHEMBL19030836 | 0.85 | ERCC1 (0.46) | ERCC1ERCC4HTR2ATP53HTR1A | |
| SCHEMBL9730240 | 0.82 | ERCC1 (0.40) | ERCC1ERCC4HTR2ATP53HTR1A | |
| SCHEMBL435206 | 0.79 | IDO1 (0.54) | ERCC1ERCC4ALDH1A1IDO1CYP3A4 | |
| SCHEMBL434355 | 0.79 | IDO1 (0.48) | ALDH1A1IDO1SMN1; SMN2P2RX7 | |
| SCHEMBL29434734 | 0.78 | KEAP1 (0.50) | ERCC1ERCC4HTR2ATP53HTR1A | |
| SCHEMBL348979 | 0.78 | KEAP1 (0.50) | ERCC1ERCC4HTR2ATP53HTR1A | |
| SCHEMBL1488965 | 0.78 | ERCC1 (0.47) | ERCC1ERCC4HTR2ATP53HTR1A | |
| SCHEMBL9921231 | 0.78 | KCNH2 (0.45) | HTR2ATP53HTR1AHTR7HTR6 | |
| SCHEMBL5266985 | 0.77 | ICMT (0.46) | ERCC1ERCC4HTR2ATP53HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016026830-A1 | NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-02-25 | — | — | WO | disclosed |
| EP-2595984-A1 | MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| EP-2595985-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010567-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |
| WO-2012010568-A1 | MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |