Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | COMT | P21964 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28453550 | 0.91 | TRPA1 (0.31) | TRPA1KIF11METAP2 | |
| SCHEMBL30027744 | 0.88 | KIF11 (0.36) | TRPA1KIF11CYP3A4ALDH1A1ESR1 | |
| SCHEMBL28360108 | 0.86 | TRPA1 (0.42) | TRPA1KIF11METAP2CYP3A4ALDH1A1 | |
| SCHEMBL9850897 | 0.85 | TRPA1 (0.33) | TRPA1 | |
| SCHEMBL2456822 | 0.82 | ESR1 (0.34) | CYP3A4ALDH1A1ESR1ESR2 | |
| SCHEMBL31570217 | 0.82 | ESR1 (0.34) | CYP3A4ALDH1A1ESR1ESR2 | |
| SCHEMBL8763762 | 0.82 | ALDH1A1 (0.31) | CYP3A4ALDH1A1ESR1ESR2 | |
| SCHEMBL812172 | 0.81 | CNR1 (0.33) | CYP3A4ALDH1A1ESR1ESR2 | |
| SCHEMBL29377531 | 0.81 | CNR1 (0.33) | CYP3A4ALDH1A1ESR1ESR2 | |
| SCHEMBL29012027 | 0.81 | CNR1 (0.36) | TRPA1CYP3A4ALDH1A1ESR1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1599500-A1 | DISPERSING AGENTS IN NANOCOMPOSITES | Polymers Australia PTY Limited (AU) | 2005-11-30 | — | — | EP | disclosed |
| WO-2004078785-A1 | DISPERSING AGENTS IN NANOCOMPOSITES | POLYMERS AUSTRALIA PTY. LIMITED (AU) | 2004-09-16 | — | — | WO | disclosed |
| US-5744527-A | SHELL, CORE POLYMER | POLYPLASTICS CO., LTD. (JP) | 1998-04-28 | — | — | US | disclosed |