Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1316560 | 0.96 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9APLNR | |
| SCHEMBL130642 | 0.96 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9APLNR | |
| SCHEMBL4610 | 0.96 | — | — | |
| SCHEMBL27912 | 0.96 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9APLNR | |
| SCHEMBL297828 | 0.96 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9APLNR | |
| SCHEMBL2267415 | 0.96 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9APLNR | |
| Phosphine SCHEMBL23581883 | 0.92 | ESR1 (0.44) | ESR1ESR2CYP3A4CYP2C9APLNR | |
| Water SCHEMBL9548508 | 0.92 | ESR1 (0.44) | ESR1ESR2CYP3A4CYP2C9APLNR | |
| Methane SCHEMBL11255677 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL11684727 | 0.92 | — | — |
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-5668243-A | INORGANIC AND ORGANIC DYES | EASTMAN CHEMICAL COMPANY (US) | 1997-09-16 | — | — | US | disclosed |