Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8984822 | 0.93 | ESR1 (0.36) | ESR1ESR2NPSR1CYP1A2CYP3A4 | |
| SCHEMBL8984819 | 0.82 | ESR1 (0.37) | ESR1ESR2NPSR1CYP1A2CYP3A4 | |
| SCHEMBL28550889 | 0.79 | ESR1 (0.39) | ESR1ESR2NPSR1CYP2C19POLB | |
| SCHEMBL24969320 | 0.79 | ESR1 (0.39) | ESR1ESR2NPSR1CYP1A2CYP3A4 | |
| SCHEMBL24969145 | 0.79 | ESR1 (0.39) | ESR1ESR2NPSR1CYP1A2CYP3A4 | |
| SCHEMBL25850935 | 0.76 | PDK2 (0.36) | ESR1ESR2 | |
| SCHEMBL27959133 | 0.75 | ESR1 (0.42) | ESR1ESR2NPSR1CYP1A2CYP3A4 | |
| SCHEMBL13324545 | 0.74 | ALDH1A1 (0.38) | ESR1ESR2NPSR1POLBRECQL | |
| SCHEMBL29403370 | 0.74 | KDM4E (0.43) | ESR1ESR2CYP1A2CYP2C19RECQL | |
| SCHEMBL5998195 | 0.74 | KDM4E (0.43) | ESR1ESR2CYP1A2CYP2C19RECQL |
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-5578737-A | SUBSTITUTED FLUORENES, MONOMERS FOR HIGH PERFORMANCE POLYMERS | THE DOW CHEMICAL COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| US-5387725-A | Chlorinating compounds having acidic protons with a perchloro-alkane and aqueous base in the presence of a tetraalkyl-ammonium hydroxide phase transfer catalyst | THE DOW CHEMICAL COMPANY (US) | 1995-02-07 | — | — | US | disclosed |