Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15653007 | 0.82 | PARP1 (0.47) | PARP1CES2CES1HCAR1CYP3A4 | |
| SCHEMBL16951663 | 0.82 | PARP1 (0.47) | PARP1CES2CES1HCAR1CYP3A4 | |
| SCHEMBL30897202 | 0.82 | PARP1 (0.47) | PARP1CES2CES1HCAR1CYP3A4 | |
| SCHEMBL259315 | 0.79 | CES2 (0.62) | PARP1CES2CES1HCAR1CYP3A4 | |
| SCHEMBL7077548 | 0.79 | PARP1 (0.60) | PARP1CES2CES1HCAR1CYP3A4 | |
| SCHEMBL5174897 | 0.78 | DHODH (0.50) | PARP1CYP3A4SMN1; SMN2POLBMAPT | |
| SCHEMBL16951541 | 0.77 | PARP1 (0.46) | PARP1HCAR1CYP3A4SMN1; SMN2POLB | |
| SCHEMBL16962552 | 0.77 | PARP1 (0.33) | PARP1CYP3A4SMN1; SMN2POLBMAPT | |
| SCHEMBL16961939 | 0.77 | PARP1 (0.46) | PARP1CYP3A4SMN1; SMN2POLBMAPT | |
| SCHEMBL16960855 | 0.77 | CA12 (0.44) | CES2CES1SMN1; SMN2POLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |