Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | DRD4 | P21917 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | CTSG | P08311 | 1/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | CTRC | Q99895 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11535776 | 0.98 | SIGMAR1 (0.37) | SIGMAR1DRD4DRD2DRD3FUCA1 | |
| Hydrochloric Acid SCHEMBL11538606 | 0.85 | SIGMAR1 (0.38) | SIGMAR1KDM4EALDH1A1L3MBTL1CYP19A1 | |
| Hydrochloric Acid SCHEMBL11538439 | 0.72 | KDM4E (0.43) | SIGMAR1KDM4EALDH1A1 | |
| SCHEMBL1044027 | 0.71 | SIGMAR1 (0.52) | SIGMAR1DRD4FUCA1MC4RF2 | |
| Hydrochloric Acid SCHEMBL9343069 | 0.69 | SIGMAR1 (0.50) | SIGMAR1DRD4FUCA1MC4RF2 | |
| Bromide SCHEMBL1046639 | 0.69 | SIGMAR1 (0.50) | SIGMAR1DRD4FUCA1MC4RF2 | |
| SCHEMBL28829629 | 0.66 | — | — | |
| SCHEMBL28954037 | 0.66 | SIGMAR1 (0.42) | SIGMAR1DRD4MC4RF2PLG | |
| SCHEMBL27725044 | 0.66 | GSK3A (0.47) | SIGMAR1F2PLGELANECTSG | |
| SCHEMBL27994068 | 0.64 | SIGMAR1 (0.45) | SIGMAR1DRD4FUCA1HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106928234-A | （The nafoxidine of 2 benzyl 1,2,3,4 simultaneously [1,2 a] pyrazine）The synthetic method of 4 methyl alcohol | 上海合全药业股份有限公司 | 2017-07-07 | — | — | CN | claimed |
| CN-106928234-A | （The nafoxidine of 2 benzyl 1,2,3,4 simultaneously [1,2 a] pyrazine）The synthetic method of 4 methyl alcohol | 上海合全药业股份有限公司 | 2017-07-07 | — | — | CN | disclosed |