Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GPR183 | P32249 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28816900 | 1.00 | KIF11 (0.47) | KIF11CYP19A1CYP11B2ESR1PTGS2 | |
| SCHEMBL2683560 | 0.89 | PTGS1 (0.50) | ESR1PTGS2NQO2PTGS1CYP1A1 | |
| SCHEMBL2683562 | 0.89 | PTGS1 (0.50) | ESR1PTGS2NQO2PTGS1CYP1A1 | |
| SCHEMBL6675575 | 0.88 | ESR1 (0.53) | CYP19A1CYP11B2ESR1PTGS2CYP1B1 | |
| SCHEMBL6675573 | 0.88 | ESR1 (0.53) | CYP19A1CYP11B2ESR1PTGS2CYP1B1 | |
| SCHEMBL28000971 | 0.87 | ESR1 (0.60) | KIF11CYP19A1CYP11B2ESR1PTGS2 | |
| SCHEMBL28000969 | 0.87 | ESR1 (0.60) | KIF11CYP19A1CYP11B2ESR1PTGS2 | |
| SCHEMBL15607138 | 0.86 | CYP19A1 (0.53) | CYP19A1CYP11B2ESR1PTGS2ALDH1A1 | |
| SCHEMBL28816911 | 0.86 | KIF11 (0.54) | KIF11CYP19A1CYP11B2ESR1PTGS2 | |
| SCHEMBL28816910 | 0.86 | KIF11 (0.54) | KIF11CYP19A1CYP11B2ESR1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104341311-A | Novel diamine compound, and preparation method and application thereof | UNIV SUN YAT SEN | 2015-02-11 | — | — | CN | disclosed |