Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.46 |
| ▸ | ESR1 | P03372 | 6/20 | 0.46 |
| ▸ | TYR | P14679 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL69172 | 0.81 | ESR2 (0.49) | ESR2ESR1TYRCYP3A4CHRM1 | |
| SCHEMBL8752791 | 0.81 | TYR (0.58) | ESR2ESR1TYRCYP3A4CHRM1 | |
| SCHEMBL31305640 | 0.79 | ESR2 (0.47) | ESR2ESR1TYRCYP3A4CHRM1 | |
| SCHEMBL2018825 | 0.79 | ESR2 (0.47) | ESR2ESR1TYRCYP3A4CHRM1 | |
| SCHEMBL41776 | 0.79 | ESR2 (0.47) | ESR2ESR1TYRCYP3A4CHRM1 | |
| SCHEMBL20271248 | 0.78 | TYR (0.48) | TYRCYP3A4ALOX15TSHRRECQL | |
| SCHEMBL4394169 | 0.77 | ESR2 (0.46) | ESR2ESR1TYRCYP3A4CHRM1 | |
| SCHEMBL10306731 | 0.77 | ESR2 (0.46) | ESR2ESR1TYRCYP3A4CHRM1 | |
| SCHEMBL18179322 | 0.77 | ESR2 (0.46) | ESR2ESR1TYRCYP3A4CHRM1 | |
| SCHEMBL1145816 | 0.76 | PYCR1 (0.44) | NR3C1PGRNR3C2 |
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-4329365-A | DIPHENYL ETHERS | BURROUGHS WELLCOME CO. (US) | 1982-05-11 | — | — | US | disclosed |
| US-4120866-A | REACTING AN AROMATIC COMPOUND WITH A SULFOXIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1978-10-17 | — | — | US | disclosed |