Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.49 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.49 |
| ▸ | HTR7 | P34969 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29706107 | 0.92 | ESR2 (0.54) | ESR2CA12CA1CA2CA9 | |
| SCHEMBL616 | 0.92 | ESR2 (0.54) | ESR2CA12CA1CA2CA9 | |
| Formaldehyde SCHEMBL29224547 | 0.90 | CA12 (0.53) | ESR2CA12CA1CA2CA9 | |
| Water SCHEMBL8948779 | 0.90 | ESR2 (0.52) | ESR2CA12CA1CA2CA9 | |
| Bromide SCHEMBL1925857 | 0.90 | ESR2 (0.52) | ESR2CA12CA1CA2CA9 | |
| Biphenyl SCHEMBL4733975 | 0.90 | ESR2 (0.52) | ESR2CA12CA1CA2CA9 | |
| Ammonia Solution, Strong SCHEMBL19032131 | 0.90 | ESR2 (0.52) | ESR2CA12CA1CA2CA9 | |
| Biphenyl SCHEMBL4603527 | 0.90 | ESR2 (0.52) | ESR2CA12CA1CA2CA9 | |
| Iodide SCHEMBL31053161 | 0.90 | ESR2 (0.52) | ESR2CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL28832617 | 0.90 | ESR2 (0.52) | ESR2CA12CA1CA2CA9 |
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-111406060-B | Heterocyclic compound and organic light-emitting element comprising same | 株式会社LG化学 | 2023-02-03 | — | — | CN | disclosed |