Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 14/20 | 0.47 |
| ▸ | ESR1 | P03372 | 9/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9353769 | 1.00 | ESR2 (0.47) | ESR2ESR1CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL9353974 | 0.89 | ESR2 (0.48) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL9353981 | 0.89 | ESR2 (0.48) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL9354044 | 0.87 | ESR2 (0.47) | ESR2ESR1CYP2C9ALDH1A1MAPT | |
| SCHEMBL9354045 | 0.87 | ESR2 (0.47) | ESR2ESR1CYP2C9ALDH1A1MAPT | |
| SCHEMBL9353899 | 0.85 | ESR2 (0.60) | ESR2ESR1CYP2C9ALDH1A1MAPT | |
| SCHEMBL9354089 | 0.84 | ESR2 (0.44) | ESR2ESR1CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL9354097 | 0.84 | ESR2 (0.44) | ESR2ESR1CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL237553 | 0.84 | ESR2 (0.59) | ESR2ESR1CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL8021816 | 0.83 | ESR2 (0.50) | ESR2ESR1CYP2C9ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0439362-B1 | Diamino compounds and precursors therefor | CHISSO CORP (JP) | 1994-09-14 | — | — | EP | disclosed |
| US-5053544-A | Diamino compound and its intermediates | CHISSO CORPORATION (JP) | 1991-10-01 | — | — | US | disclosed |
| EP-0439362-A1 | Diamino compounds and precursors therefor | CHISSO CORPORATION (JP) | 1991-07-31 | — | — | EP | disclosed |