Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.37 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11813231 | 0.89 | CA1 (0.48) | ESR1ESR2CA1CA2PTGS1 | |
| SCHEMBL16572048 | 0.88 | SHBG (0.47) | ESR1ESR2CA1CA2PTGS1 | |
| SCHEMBL27820044 | 0.78 | ESR1 (0.59) | ESR1ESR2TYRNR3C1PGR | |
| SCHEMBL2229760 | 0.77 | TYR (0.43) | ESR1ESR2PTGS1PTGS2TYR | |
| SCHEMBL23071074 | 0.77 | TYR (0.43) | ESR1ESR2PTGS1PTGS2TYR | |
| SCHEMBL11803840 | 0.77 | CA1 (0.46) | ESR1ESR2CA1CA2PTGS1 | |
| SCHEMBL16715794 | 0.77 | TYR (0.37) | ESR1ESR2PTGS2SHBGTYR | |
| SCHEMBL16715793 | 0.77 | TYR (0.37) | ESR1ESR2PTGS2SHBGTYR | |
| SCHEMBL3283950 | 0.76 | CYP1A2 (0.47) | CA1CA2PTGS1PTGS2HMGB1 | |
| SCHEMBL21241482 | 0.75 | POLB (0.41) | TYRALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-3960758-A | SULFUR-CONTAINING PHENOL | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-01 | — | — | US | disclosed |