Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 2/20 | 0.36 |
| ▸ | IKBKB | O14920 | 2/20 | 0.35 |
| ▸ | CHUK | O15111 | 2/20 | 0.35 |
| ▸ | GYS1 | P13807 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3453136 | 0.83 | BCAT2 (0.50) | BCAT2ALDH1A1HPGDLMNAKDM4E | |
| SCHEMBL2484727 | 0.78 | ALDH1A1 (0.44) | BCAT2ALDH1A1HPGDLMNAKDM4E | |
| SCHEMBL28431087 | 0.76 | GYS1 (0.47) | ALDH1A1HPGDLMNAKDM4EBACE1 | |
| SCHEMBL4628562 | 0.75 | BACE1 (0.43) | ALDH1A1HPGDLMNABACE1ALOX5 | |
| SCHEMBL29702020 | 0.74 | ALDH1A1 (0.43) | ALDH1A1HPGDBACE1PTPN1 | |
| SCHEMBL2832469 | 0.74 | BCAT2 (0.62) | BCAT2DHODHIKBKBCHUKMEN1 | |
| SCHEMBL27727564 | 0.73 | BACE1 (0.42) | ALDH1A1HPGDLMNABACE1ALOX5 | |
| SCHEMBL27880998 | 0.73 | BACE1 (0.38) | ALDH1A1HPGDLMNABACE1ALOX5 | |
| SCHEMBL975812 | 0.73 | BCAT2 (0.55) | BCAT2ALDH1A1HPGDLMNAKDM4E | |
| SCHEMBL5934445 | 0.71 | HNF4A (0.54) | ERN1PTPN1 |
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-103842341-A | Novel estrogen receptor ligands | KAROBIO AB | 2014-06-04 | — | — | CN | disclosed |