Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.84 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.52 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.52 |
| ▸ | ABAT | P80404 | 1/20 | 0.52 |
| ▸ | TYR | P14679 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL2154693 | 0.92 | HSD17B10 (0.89) | HSD17B10CYP2A6ALDH5A1ABATTYR | |
| SCHEMBL1919 | 0.92 | — | — | |
| Fluoride SCHEMBL28312830 | 0.89 | HSD17B10 (0.94) | HSD17B10CYP2A6ALDH5A1ABATTYR | |
| SCHEMBL31544783 | 0.89 | HSD17B10 (0.94) | HSD17B10CYP2A6ALDH5A1ABATTYR | |
| Hydrogen Sulfide SCHEMBL27481476 | 0.89 | HSD17B10 (0.94) | HSD17B10CYP2A6ALDH5A1ABATTYR | |
| SCHEMBL8995751 | 0.89 | HSD17B10 (0.94) | HSD17B10CYP2A6ALDH5A1ABATTYR | |
| SCHEMBL28981622 | 0.89 | HSD17B10 (0.94) | HSD17B10CYP2A6ALDH5A1ABATTYR | |
| Hydrochloric Acid SCHEMBL5255687 | 0.89 | HSD17B10 (0.94) | HSD17B10CYP2A6ALDH5A1ABATTYR | |
| SCHEMBL27737708 | 0.89 | — | — | |
| SCHEMBL28191020 | 0.89 | HSD17B10 (0.94) | HSD17B10CYP2A6ALDH5A1ABATTYR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105294511-A | Preparation method of robenidine hydrochloride | ZHEJIANG ESIGMA BIOTECHNOLOGY CO LTD | 2016-02-03 | — | — | CN | claimed |
| CN-105294511-A | Preparation method of robenidine hydrochloride | ZHEJIANG ESIGMA BIOTECHNOLOGY CO LTD | 2016-02-03 | — | — | CN | disclosed |
| CN-105294511-A | Preparation method of robenidine hydrochloride | ZHEJIANG ESIGMA BIOTECHNOLOGY CO LTD | 2016-02-03 | — | — | CN | disclosed |