Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL987335 | 1.00 | ESR1 (0.64) | ESR1CYP19A1CYP11B2CYP1B1PTGS2 | |
| SCHEMBL14928213 | 1.00 | ESR1 (0.64) | ESR1CYP19A1CYP11B2CYP1B1PTGS2 | |
| SCHEMBL6517631 | 0.96 | ESR1 (0.59) | ESR1CYP19A1CYP11B2CYP1B1PTGS2 | |
| SCHEMBL6517636 | 0.96 | ESR1 (0.59) | ESR1CYP19A1CYP11B2CYP1B1PTGS2 | |
| SCHEMBL1652775 | 0.94 | CYP19A1 (0.59) | ESR1CYP19A1CYP11B2CYP1B1PTGS2 | |
| SCHEMBL6675573 | 0.90 | ESR1 (0.53) | ESR1CYP19A1CYP11B2CYP1B1PTGS2 | |
| SCHEMBL6675575 | 0.90 | ESR1 (0.53) | ESR1CYP19A1CYP11B2CYP1B1PTGS2 | |
| SCHEMBL4612465 | 0.89 | ESR1 (0.78) | ESR1CYP19A1CYP11B2PTGS2ESR2 | |
| SCHEMBL15607138 | 0.88 | CYP19A1 (0.53) | ESR1CYP19A1CYP11B2PTGS2ESR2 | |
| SCHEMBL21738730 | 0.87 | ESR1 (0.62) | ESR1CYP19A1CYP11B2PTGS2ESR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104341311-B | Diamine compound and its preparation method and application | 中山大学 | 2016-12-28 | — | — | CN | disclosed |
| CN-104341311-A | Novel diamine compound, and preparation method and application thereof | UNIV SUN YAT SEN | 2015-02-11 | — | — | CN | disclosed |
| CN-102408342-B | Fluorine-containing functional diamine monomer with large conjugated structure as well as synthesis method and application thereof | UNIV SUN YAT SEN | 2014-06-18 | — | — | CN | disclosed |
| CN-102766085-A | Novel function diamine monomer containing carbazole and large conjugated structure and preparation method and application thereof | UNIV SUN YAT SEN | 2012-11-07 | — | — | CN | disclosed |
| CN-102408342-A | Fluorine-containing functional diamine monomer with large conjugated structure as well as synthesis method and application thereof | UNIV SUN YAT SEN | 2012-04-11 | — | — | CN | disclosed |