Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL10987288 | 0.90 | EPHX2 (0.42) | CYP1A2CYP3A4CYP2C19PMP22L3MBTL1 | |
| SCHEMBL10981286 | 0.84 | RXRA (0.40) | CYP1A2CYP3A4CYP2C19PMP22BLM | |
| Iodomethane SCHEMBL10978646 | 0.83 | RXRA (0.39) | CYP1A2CYP3A4CYP2C19PMP22BLM | |
| SCHEMBL10985791 | 0.79 | LMNA (0.46) | L3MBTL1TP53ALDH1A1ALOX15LMNA | |
| SCHEMBL10977039 | 0.76 | RXRA (0.40) | CYP1A2CYP3A4CYP2C19PMP22L3MBTL1 | |
| SCHEMBL11191736 | 0.76 | L3MBTL1 (0.41) | CYP1A2CYP3A4CYP2C19PMP22L3MBTL1 | |
| SCHEMBL11444371 | 0.74 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19PMP22BLM | |
| SCHEMBL10977051 | 0.74 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C19PMP22BLM | |
| SCHEMBL11130995 | 0.73 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C19PMP22BLM | |
| SCHEMBL10975713 | 0.73 | KMT2A (0.43) | CYP1A2CYP3A4CYP2C19L3MBTL1TP53 |
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-0048539-B1 | ISOQUINOLYLOXY(AMINO)PHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS HERBICIDES | ICI AUSTRALIA LIMITED (AU) | 1985-08-28 | — | — | EP | disclosed |
| US-4409017-A | Herbicidal isoquinolinoxy- or isoquinolinamino-phenoxy alkane carboxylic acid derivatives | ICI AUSTRALIA LIMITED (AU) | 1983-10-11 | — | — | US | disclosed |