Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 12/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.70 |
| ▸ | AR | P10275 | 1/20 | 0.70 |
| ▸ | HPGD | P15428 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.70 |
| ▸ | HTR6 | P50406 | 1/20 | 0.70 |
| ▸ | ESRRG | P62508 | 1/20 | 0.70 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | SHBG | P04278 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23007619 | 0.85 | ESR1 (0.55) | ESR1ESR2CYP3A4ARHPGD | |
| Bisphenol A SCHEMBL4231382 | 0.84 | ESR1 (0.80) | ESR1ESR2CYP3A4ARHPGD | |
| Bisphenol A SCHEMBL278218 | 0.83 | ESR1 (1.00) | ESR1ESR2CYP3A4ARHPGD | |
| SCHEMBL15868669 | 0.83 | ESR1 (1.00) | ESR1ESR2CYP3A4ARHPGD | |
| Bisphenol A SCHEMBL31267162 | 0.83 | ESR1 (1.00) | ESR1ESR2CYP3A4ARHPGD | |
| Bisphenol A SCHEMBL9774987 | 0.83 | ESR1 (1.00) | ESR1ESR2CYP3A4ARHPGD | |
| Bisphenol A SCHEMBL15062 | 0.83 | ESR1 (1.00) | ESR1ESR2CYP3A4ARHPGD | |
| Bisphenol A SCHEMBL8058731 | 0.83 | ESR1 (1.00) | ESR1ESR2CYP3A4ARHPGD | |
| SCHEMBL27996 | 0.83 | ESR1 (1.00) | ESR1ESR2CYP3A4ARHPGD | |
| Bisphenol A SCHEMBL3170263 | 0.83 | ESR1 (1.00) | ESR1ESR2CYP3A4ARHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5021528-A | Crosslinked bisphenol containing arylcyclobutene alkyl ethers and cured compositions therefrom | SHELL OIL COMPANY (US) | 1991-06-04 | — | — | US | disclosed |
| US-4943665-A | Modified bisphenols containing arylcyclobutenealkyl ethers and cured compositions therefrom | SHELL OIL COMPANY (US) | 1990-07-24 | — | — | US | disclosed |