Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9748973 | 0.85 | ALDH1A1 (0.41) | ESR2ESR1AKT1KDM4EALDH1A1 | |
| SCHEMBL4974003 | 0.78 | ALDH1A1 (0.49) | ESR2ESR1AKT1KDM4EALDH1A1 | |
| SCHEMBL31254037 | 0.78 | ALDH1A1 (0.49) | ESR2ESR1AKT1KDM4EALDH1A1 | |
| SCHEMBL9847605 | 0.78 | ALDH1A1 (0.42) | ALDH1A1PPARA | |
| SCHEMBL9284097 | 0.77 | ESR2 (0.44) | ESR2ESR1AKT1CA2CA5A | |
| SCHEMBL9358625 | 0.77 | KDM4E (0.39) | ESR2ESR1KMT2AKDM4EALDH1A1 | |
| SCHEMBL6797610 | 0.76 | PPARG (0.47) | ESR2ESR1KMT2APPARA | |
| SCHEMBL10638905 | 0.76 | PPARG (0.49) | ESR2ESR1AKT1KMT2AKDM4E | |
| Formaldehyde SCHEMBL27953583 | 0.74 | ALDH1A1 (0.49) | ESR2ESR1AKT1KMT2AKDM4E | |
| SCHEMBL10867651 | 0.73 | AKT1 (0.55) | ESR2ESR1AKT1CA2CA5A |
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-102712648-A | Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls | NOVARTIS AG | 2012-10-03 | — | — | CN | disclosed |