Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.79 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.79 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.79 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.79 |
| ▸ | TACR2 | P21452 | 2/20 | 0.79 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.79 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.79 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.79 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.79 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.79 |
| ▸ | LMNA | P02545 | 1/20 | 0.79 |
| ▸ | SHBG | P04278 | 1/20 | 0.79 |
| ▸ | TP53 | P04637 | 1/20 | 0.79 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.79 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.79 |
| ▸ | HTR2C | P28335 | 1/20 | 0.79 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.79 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.79 |
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 | |
|---|---|---|---|---|
| SCHEMBL20233 | 0.98 | ESR1 (0.83) | ESR1ADRA2ASLC6A2ALDH1A1ADORA3 | |
| Hydrochloric Acid SCHEMBL27554354 | 0.95 | ESR1 (0.79) | ESR1ADRA2ASLC6A2ALDH1A1ADORA3 | |
| Ammonia Solution, Strong SCHEMBL27523159 | 0.95 | ESR1 (0.79) | ESR1ADRA2ASLC6A2ALDH1A1ADORA3 | |
| SCHEMBL27541139 | 0.95 | ESR1 (0.79) | ESR1ADRA2ASLC6A2ALDH1A1ADORA3 | |
| SCHEMBL28796641 | 0.95 | PTGS2 (0.87) | ESR1ADRA2ASLC6A2ALDH1A1ADORA3 | |
| SCHEMBL28192405 | 0.95 | ESR1 (0.79) | ESR1ADRA2ASLC6A2ALDH1A1ADORA3 | |
| Butane SCHEMBL11811032 | 0.95 | ESR1 (0.79) | ESR1ADRA2ASLC6A2ALDH1A1ADORA3 | |
| Propane SCHEMBL27619750 | 0.95 | ESR1 (0.79) | ESR1ADRA2ASLC6A2ALDH1A1ADORA3 | |
| SCHEMBL21632769 | 0.95 | ESR1 (0.79) | ESR1ADRA2ASLC6A2ALDH1A1ADORA3 | |
| SCHEMBL27587362 | 0.95 | ESR1 (0.79) | ESR1ADRA2ASLC6A2ALDH1A1ADORA3 |
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-107954865-A | A kind of preparation method of verdox | 江苏馨瑞香料有限公司 | 2018-04-24 | — | — | CN | disclosed |