Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | PTPN6 | P29350 | 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 | |
|---|---|---|---|---|
| SCHEMBL697215 | 0.94 | BTK (0.38) | BTKKMT2AEPHX1ALDH1A1MEN1 | |
| SCHEMBL7552309 | 0.92 | BTK (0.37) | BTKKMT2AEPHX1ALDH1A1MEN1 | |
| SCHEMBL1334743 | 0.87 | SMN1; SMN2 (0.43) | BTKKMT2AEPHX1ALDH1A1MEN1 | |
| SCHEMBL8494766 | 0.87 | BTK (0.46) | BTKKMT2AEPHX1ALDH1A1MEN1 | |
| SCHEMBL16732424 | 0.86 | SMN1; SMN2 (0.41) | BTKKMT2AALDH1A1MEN1SMN1; SMN2 | |
| SCHEMBL16732426 | 0.86 | SMN1; SMN2 (0.41) | BTKKMT2AALDH1A1MEN1SMN1; SMN2 | |
| SCHEMBL29333106 | 0.85 | EPHX1 (0.43) | BTKKMT2AEPHX1ALDH1A1MEN1 | |
| SCHEMBL696158 | 0.82 | RECQL (0.41) | BTKKMT2AEPHX1ALDH1A1MEN1 | |
| SCHEMBL21994463 | 0.78 | HPGD (0.57) | KMT2AEPHX1ALDH1A1MEN1MAPT | |
| SCHEMBL21995317 | 0.78 | HPGD (0.43) | KMT2AEPHX1ALDH1A1MEN1MAPT |
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-1097117-A2 | ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES | AVENTIS AGRICULTURE LTD. (GB) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000003975-A2 | ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES | AVENTIS AGRICULTURE LTD. (GB) | 2000-01-27 | — | — | WO | disclosed |