Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.59 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.55 |
| ▸ | GSK3B | P49841 | 2/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27901792 | 0.98 | CES2 (0.57) | CES2CES1SRD5A2PTPN1GSK3B | |
| SCHEMBL29869060 | 0.94 | CES2 (0.53) | CES2CES1SRD5A2PTPN1GSK3B | |
| SCHEMBL713716 | 0.82 | TSHR (0.47) | CES2CES1SRD5A2HPGDTSHR | |
| SCHEMBL1124738 | 0.82 | CES2 (0.57) | CES2CES1SRD5A2PTPN1GSK3B | |
| SCHEMBL28587857 | 0.82 | CES2 (0.57) | CES2CES1SRD5A2PTPN1GSK3B | |
| SCHEMBL30547886 | 0.79 | CES2 (0.59) | CES2SRD5A2MAOB | |
| SCHEMBL4578492 | 0.79 | SRD5A2 (0.57) | SRD5A2NR4A2NPC1RAB9AEPHX2 | |
| SCHEMBL3058646 | 0.78 | CES2 (0.78) | CES2CES1SRD5A2PTPN1GSK3B | |
| Ethylene SCHEMBL715322 | 0.78 | SRD5A2 (0.80) | CES2CES1SRD5A2PTPN1GSK3B | |
| SCHEMBL78879 | 0.78 | SRD5A2 (0.87) | CES2CES1SRD5A2PTPN1GSK3B |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116789517-A | Aryl or heteroaryl derivative and organic electroluminescent element comprising same | 株式会社乐普拓 | 2023-09-22 | — | — | CN | disclosed |
| CN-116710432-A | Organic compound and organic electroluminescent device comprising the same | 株式会社乐普拓 | 2023-09-05 | — | — | CN | disclosed |
| CN-116568683-A | Dibenzofive-membered ring compound and organic electroluminescent device comprising same | 株式会社乐普拓 | 2023-08-08 | — | — | CN | disclosed |
| CN-109796561-B | Aromatic ring polycarboxylic acid water reducing agent mother liquor and preparation method and application thereof | 科之杰新材料集团(贵州)有限公司 | 2021-06-15 | — | — | CN | disclosed |
| CN-109369637-B | Novel kojic acid derivative containing 1,3, 4-thiadiazole and application thereof | 湖南科技大学 | 2021-04-06 | — | — | CN | disclosed |
| CN-105566021-B | A kind of α, the preparation method of beta-unsaturated carboxylic acid class compound | 中国科学技术大学 | 2018-05-29 | — | — | CN | disclosed |
| WO-2009095726-A1 | ACRYLAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 MODULATORS | GLENMARK PHARMACEUTICALS, S.A. (US) | 2009-08-06 | — | — | WO | disclosed |