Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28505848 | 1.00 | CYP17A1 (0.42) | CYP17A1CYP11B1CYP11B2GPR84RARB | |
| SCHEMBL28495680 | 1.00 | CYP17A1 (0.42) | CYP17A1CYP11B1CYP11B2GPR84RARB | |
| SCHEMBL10345128 | 0.91 | CYP17A1 (0.42) | CYP17A1CYP11B1CYP11B2GPR84RARB | |
| SCHEMBL10723905 | 0.90 | CYP17A1 (0.41) | CYP17A1CYP11B1CYP11B2GPR84RARB | |
| SCHEMBL10723919 | 0.90 | CYP17A1 (0.41) | CYP17A1CYP11B1CYP11B2GPR84RARB | |
| SCHEMBL3165797 | 0.89 | HRH3 (0.44) | CYP17A1CYP11B1CYP11B2GPR84SLC6A2 | |
| SCHEMBL3165806 | 0.89 | HRH3 (0.44) | CYP17A1CYP11B1CYP11B2GPR84SLC6A2 | |
| SCHEMBL9504614 | 0.88 | GPR84 (0.40) | GPR84RARBRARARARGMAOB | |
| SCHEMBL21592063 | 0.88 | HRH3 (0.42) | CYP17A1CYP11B1CYP11B2GPR84RARB | |
| SCHEMBL9504609 | 0.88 | GPR84 (0.40) | GPR84RARBRARARARGMAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-112142546-A | Separation and enrichment method of trans-cyclohexyl-containing organic molecules | 湖南经世新材料有限责任公司 | 2020-12-29 | — | — | CN | disclosed |