Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 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 | |
|---|---|---|---|---|
| SCHEMBL433204 | 0.97 | CA2 (0.52) | ESR1ESR2CA2CA4CA5A | |
| Hydrochloric Acid SCHEMBL4656194 | 0.94 | ESR1 (0.50) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL28382220 | 0.92 | ESR1 (0.48) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL28386973 | 0.92 | ESR1 (0.48) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL13997113 | 0.81 | ALDH1A1 (0.56) | ESR1ESR2ALOX15TSHRALDH1A1 | |
| Phosphine SCHEMBL28874033 | 0.80 | ESR1 (0.48) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL4926349 | 0.79 | CA2 (0.52) | ESR1ESR2CA2CA4CA5A | |
| Phosphine SCHEMBL15190577 | 0.78 | ESR1 (0.65) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL28306610 | 0.77 | ESR1 (0.50) | ESR1ESR2CA2CA4CA5A | |
| SCHEMBL8994040 | 0.74 | ESR1 (0.48) | ESR1ESR2CA2CA4CA5A |
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-109824728-A | Thio phosphono heterocycle methylene ester compounds of two silicon of fire retardant phenylphosphonothioic acid and preparation method thereof | 苏州科技大学 | 2019-05-31 | — | — | CN | disclosed |