Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | QDPR | P09417 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23710752 | 1.00 | SLC22A12 (0.78) | SLC22A12CYP2D6CYP3A4CA2NR3C1 | |
| SCHEMBL29895300 | 1.00 | SLC22A12 (0.78) | SLC22A12CYP2D6CYP3A4CA2NR3C1 | |
| SCHEMBL29895233 | 1.00 | SLC22A12 (0.78) | SLC22A12CYP2D6CYP3A4CA2NR3C1 | |
| Isoguaiacin SCHEMBL30046020 | 0.94 | SLC22A12 (0.67) | SLC22A12CYP2D6CYP3A4CA2NR3C1 | |
| Isoguaiacin SCHEMBL29484561 | 0.94 | SLC22A12 (0.67) | SLC22A12CYP2D6CYP3A4CA2NR3C1 | |
| Isoguaiacin SCHEMBL25046257 | 0.94 | SLC22A12 (0.67) | SLC22A12CYP2D6CYP3A4CA2NR3C1 | |
| Isoguaiacin SCHEMBL29484562 | 0.94 | SLC22A12 (0.67) | SLC22A12CYP2D6CYP3A4CA2NR3C1 | |
| SCHEMBL23710749 | 0.88 | SLC22A12 (1.00) | SLC22A12CYP2D6CYP3A4MAOAQDPR | |
| SCHEMBL23710750 | 0.88 | SLC22A12 (1.00) | SLC22A12CYP2D6CYP3A4MAOAQDPR | |
| SCHEMBL29895281 | 0.88 | SLC22A12 (1.00) | SLC22A12CYP2D6CYP3A4MAOAQDPR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021152598-A1 | PESTICIDE COMPOSITIONS OF 1-PHENYL-TETRALIN DERIVATIVES | METABOLIC INSIGHTS LTD. (IL) | 2021-08-05 | — | — | WO | disclosed |